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Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-

View entire compound with spectra: 1 MS (GC)

Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 1ceTo39aPXC
InChI InChI=1S/C21H22N8OS/c1-14-8-7-9-15(2)19(14)22-18(30)13-31-21-25-23-17(28(21)3)12-29-26-20(24-27-29)16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,22,30)
InChIKey FHEPMPYVCNUDAN-UHFFFAOYSA-N
Mol Weight 434.52 g/mol
Molecular Formula C21H22N8OS
Exact Mass 434.163729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l8qxE2v4Nd
Name Acetamide, N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N8OS
InChI InChI=1S/C21H22N8OS/c1-14-8-7-9-15(2)19(14)22-18(30)13-31-21-25-23-17(28(21)3)12-29-26-20(24-27-29)16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,22,30)
InChIKey FHEPMPYVCNUDAN-UHFFFAOYSA-N
Molecular Weight 434.522 g/mol
SMILES N(C(CSc1nnc([n]1C)C[n]1nc(nn1)-c1ccccc1)=O)c1c(cccc1C)C
SPLASH splash10-0pc0-6920000000-20762e314e6dd51c675b
Source of Spectrum IY-1-4693-5
Synonyms N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-2-tetrazolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,6-dimethylphenyl)-2-[[4-methyl-5-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
Wiley ID 1654918