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2-{[4-(1,5-Dimethyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-benzylhydrazinecarbothioamide

View entire compound with spectra: 2 MS (GC)

2-{[4-(1,5-Dimethyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-benzylhydrazinecarbothioamide
SpectraBase Compound ID LQEvGgNrYLr
InChI InChI=1S/C30H29ClN8O3S/c1-20-27(28(41)39(36(20)2)24-11-7-4-8-12-24)38-25(17-21-13-15-23(31)16-14-21)35-37(30(38)42)19-26(40)33-34-29(43)32-18-22-9-5-3-6-10-22/h3-16H,17-19H2,1-2H3,(H,33,40)(H2,32,34,43)
InChIKey XHDYDVNCJSCSAH-UHFFFAOYSA-N
Mol Weight 617.13 g/mol
Molecular Formula C30H29ClN8O3S
Exact Mass 616.177186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jeh3lrJJ4i
Name 2-{[4-(1,5-Dimethyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-benzylhydrazinecarbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29ClN8O3S
InChI InChI=1S/C30H29ClN8O3S/c1-20-27(28(41)39(36(20)2)24-11-7-4-8-12-24)38-25(17-21-13-15-23(31)16-14-21)35-37(30(38)42)19-26(40)33-34-29(43)32-18-22-9-5-3-6-10-22/h3-16H,17-19H2,1-2H3,(H,33,40)(H2,32,34,43)
InChIKey XHDYDVNCJSCSAH-UHFFFAOYSA-N
Molecular Weight 617.128 g/mol
SMILES N(NC(=S)NCc1ccccc1)C(CN1C(N(C=2C(N(c3ccccc3)N(C2C)C)=O)C(=N1)Cc1ccc(cc1)Cl)=O)=O
SPLASH splash10-014i-0788966000-c18721dc134fff451567
Source of Spectrum F2-45-4729-6b
Synonyms 2-{[4-(1,5-Dimetyl-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-3-(4-chlorophenylmethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-yl]acetyl}-N-benzylhydrazinecarbothioamide 1-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea 1-Benzyl-3-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]thiourea 1-Benzyl-3-[[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]thiourea 1-[2-[3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoylamino]-3-(phenylmethyl)thiourea
Wiley ID 1703390