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

Systemtic Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C33H29N5O3S MolecularWeight: 575.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N

InChI

InChI=1S/C33H29N5O3S/c1-22-31(33(40)38(37(22)2)25-12-8-5-9-13-25)36-30(39)18-19-42-32-28(21-34)27(23-14-16-26(41-3)17-15-23)20-29(35-32)24-10-6-4-7-11-24/h4-17,20H,18-19H2,1-3H3,(H,36,39)