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

Systemtic Name: 2-phenylsulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[2-(4-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[2-(pyridin-4-ylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]nicotinamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=NC=C4

InChI

InChI=1S/C21H17N5OS/c27-20(18-7-4-11-23-21(18)28-17-5-2-1-3-6-17)25-19-10-14-24-26(19)15-16-8-12-22-13-9-16/h1-14H,15H2,(H,25,27)