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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-17-8-12-19(13-9-17)27(15-5-14-24)21(29)16-30-23-25-22(18-10-11-18)28(26-23)20-6-3-2-4-7-20/h2-4,6-9,12-13,18H,5,10-11,15-16H2,1H3