N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine-4-carboxamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)pyridine-4-carboxamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-4-pyridinecarboxamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)pyridine-4-carboxamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]isonicotinamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H13N5OS/c18-10-14-15(20-16(23)13-6-8-19-9-7-13)21-22-17(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H2,20,21,22,23)