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2-[[4-amino-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SpectraBase Compound ID 6Jl1KLvHoCP
InChI InChI=1S/C20H22N6O2S2/c1-13-3-7-15(8-4-13)22-17(27)11-29-19-24-25-20(26(19)21)30-12-18(28)23-16-9-5-14(2)6-10-16/h3-10H,11-12,21H2,1-2H3,(H,22,27)(H,23,28)
InChIKey QLONDIITILYFPJ-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C20H22N6O2S2
Exact Mass 442.124566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OUsX2WjVfg
Name 2-[[4-amino-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N6O2S2
InChI InChI=1S/C20H22N6O2S2/c1-13-3-7-15(8-4-13)22-17(27)11-29-19-24-25-20(26(19)21)30-12-18(28)23-16-9-5-14(2)6-10-16/h3-10H,11-12,21H2,1-2H3,(H,22,27)(H,23,28)
InChIKey QLONDIITILYFPJ-UHFFFAOYSA-N
Molecular Weight 442.556 g/mol
SMILES N(C(CSc1[n](c(nn1)SCC(Nc1ccc(cc1)C)=O)N)=O)c1ccc(cc1)C
SPLASH splash10-0a4i-7900000000-f70963d8eab9ad75cf49
Synonyms 2-[[4-amino-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide 2-[[4-amino-5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide 2-[[4-amino-5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide 2-[[4-azanyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide
Wiley ID 1442777