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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5OS/c1-3-26-21(19-13-8-7-10-17(19)2)24-25-22(26)29-16-20(28)27(15-9-14-23)18-11-5-4-6-12-18/h4-8,10-13H,3,9,15-16H2,1-2H3