N-[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]pyridine-4-carboxamide Openeye Name: N-[1-(o-tolylmethyl)-2-sulfanyl-ethyl]pyridine-4-carboxamide CAS Name: N-[1-mercapto-3-(2-methylphenyl)propan-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]pyridine-4-carboxamide Traditional Name: N-[1-(mercaptomethyl)-2-(o-tolyl)ethyl]isonicotinamide Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=CC=C1CC(CS)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H18N2OS/c1-12-4-2-3-5-14(12)10-15(11-20)18-16(19)13-6-8-17-9-7-13/h2-9,15,20H,10-11H2,1H3,(H,18,19)