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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3CC3)C

InChI

InChI=1S/C18H21N5OS/c1-13-4-6-15(7-5-13)22(11-3-10-19)17(24)12-25-18-21-20-14(2)23(18)16-8-9-16/h4-7,16H,3,8-9,11-12H2,1-2H3