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

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]nicotinamide 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=CN=CC=C4

Isomeric SMILES

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

InChI

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