2-(2-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2-chlorophenyl)sulfanyl-N-[2-(2-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)thio]-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(2-chlorophenyl)thio]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=N4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=N4)Cl

InChI

InChI=1S/C21H16ClN5OS/c22-17-8-1-2-9-18(17)29-21-16(7-5-12-24-21)20(28)26-19-10-13-25-27(19)14-15-6-3-4-11-23-15/h1-13H,14H2,(H,26,28)