2-(3,4-dimethylphenyl)sulfanyl-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(3-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(3-pyridinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(3-pyridyl)ethyl]nicotinamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CN=CC=C3)C

InChI

InChI=1S/C21H21N3OS/c1-15-7-8-18(13-16(15)2)26-21-19(6-4-11-24-21)20(25)23-12-9-17-5-3-10-22-14-17/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,23,25)