3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C24H18ClN5O2S MolecularWeight: 475.95002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C=C(N2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H18ClN5O2S/c25-18-9-6-16(7-10-18)20-11-8-17(15-26)24(27-20)33-13-12-22(31)28-21-14-23(32)30(29-21)19-4-2-1-3-5-19/h1-11,14,29H,12-13H2,(H,28,31)