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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N6O2S/c1-15(27)23-16-6-5-9-18(12-16)26-14-22-24-20(26)29-13-19(28)25(11-10-21)17-7-3-2-4-8-17/h2-9,12,14H,11,13H2,1H3,(H,23,27)