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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)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=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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