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

Systemtic Name: N-(2-cyanoethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H17N5OS/c1-12-17-18-15(19(12)2)22-11-14(21)20(10-6-9-16)13-7-4-3-5-8-13/h3-5,7-8H,6,10-11H2,1-2H3