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

Systemtic Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC(=O)N(N4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC(=O)N(N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H25N5O2S/c29-18-22-16-21-15-20(19-7-3-1-4-8-19)11-12-24(21)30-28(22)36-14-13-26(34)31-25-17-27(35)33(32-25)23-9-5-2-6-10-23/h1-10,16-17,20,32H,11-15H2,(H,31,34)