N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]pyridine-4-carboxamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]pyridine-4-carboxamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]pyridine-4-carboxamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]isonicotinamide Formula: C23H16ClN5OS MolecularWeight: 445.92404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H16ClN5OS/c24-20-9-5-4-6-17(20)15-31-23-19(14-25)21(27-22(30)16-10-12-26-13-11-16)29(28-23)18-7-2-1-3-8-18/h1-13H,15H2,(H,27,30)