2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H18N6O2S/c1-9-3-5-10(6-4-9)16-11(21)7-20(2)12(22)8-23-14-17-13(15)18-19-14/h3-6H,7-8H2,1-2H3,(H,16,21)(H3,15,17,18,19)