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Ethyl 4-([3-(3-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl)-1-piperazinecarboxylate
SpectraBase Compound ID 4XysTIzYPZp
InChI InChI=1S/C18H25N5O3S/c1-4-26-18(24)22-10-8-21(9-11-22)13-23-17(27)20(2)16(19-23)14-6-5-7-15(12-14)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKey QUIUQSWLYWYKLN-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C18H25N5O3S
Exact Mass 391.167811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PaYi8KGvjQ
Name Ethyl 4-([3-(3-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl)-1-piperazinecarboxylate
CAS Registry Number 312282-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N5O3S
InChI InChI=1S/C18H25N5O3S/c1-4-26-18(24)22-10-8-21(9-11-22)13-23-17(27)20(2)16(19-23)14-6-5-7-15(12-14)25-3/h5-7,12H,4,8-11,13H2,1-3H3
InChIKey QUIUQSWLYWYKLN-UHFFFAOYSA-N
Molecular Weight 391.490 g/mol
SMILES CCOC(N1CCN(CN2C(N(C)C(=N2)c2cc(OC)ccc2)=S)CC1)=O
SPLASH splash10-00di-3900000000-f58869ae44adf677c188
Synonyms 4-[3-(3-Methoxy-phenyl)-4-methyl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-ylmethyl]-piperazine-1-carboxylic acid ethyl ester 4-[[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester 4-[[3-(3-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Ethyl 4-[[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Ethyl 4-[[3-(3-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
Wiley ID 1462620