5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenylmethylthio)-4-thiophen-2-yl-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-ylpyridine-3-carboxamide Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)nicotinamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=CS3)C#N)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=CS3)C#N)SCC4=CC=CC=C4)C

InChI

InChI=1S/C26H21N3OS2/c1-17-9-6-7-12-21(17)29-25(30)23-18(2)28-26(32-16-19-10-4-3-5-11-19)20(15-27)24(23)22-13-8-14-31-22/h3-14H,16H2,1-2H3,(H,29,30)