2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(C)CCC#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(C)CCC#N

InChI

InChI=1S/C16H18N6O2S/c1-12(23)19-13-5-3-6-14(9-13)22-11-18-20-16(22)25-10-15(24)21(2)8-4-7-17/h3,5-6,9,11H,4,8,10H2,1-2H3,(H,19,23)