N-(cyanomethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C21H21N5OS/c1-3-25-20(18-12-8-7-9-16(18)2)23-24-21(25)28-15-19(27)26(14-13-22)17-10-5-4-6-11-17/h4-12H,3,14-15H2,1-2H3