2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C31H31N5O2S MolecularWeight: 537.67514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C31H31N5O2S/c1-4-27(29(37)34-28-20(2)35(3)36(31(28)38)25-13-9-6-10-14-25)39-30-24(19-32)18-23-17-22(15-16-26(23)33-30)21-11-7-5-8-12-21/h5-14,18,22,27H,4,15-17H2,1-3H3,(H,34,37)