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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NC3=CC=NN3CC4=CC=NC=C4

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NC3=CC=NN3CC4=CC=NC=C4

InChI

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