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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C25H22N6OS MolecularWeight: 454.54678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H22N6OS/c1-19-8-10-21(11-9-19)30(17-5-14-26)23(32)18-33-25-29-28-24(20-12-15-27-16-13-20)31(25)22-6-3-2-4-7-22/h2-4,6-13,15-16H,5,17-18H2,1H3