2-(4-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(2-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl

InChI

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