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

Systemtic Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C31H25N5O3S MolecularWeight: 547.6269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N5O3S/c1-39-24-14-12-21(13-15-24)25-18-27(22-8-4-2-5-9-22)33-31(26(25)20-32)40-17-16-29(37)34-28-19-30(38)36(35-28)23-10-6-3-7-11-23/h2-15,18-19,35H,16-17H2,1H3,(H,34,37)