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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)propionamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O2S/c1-18(27(35)31-25-16-26(34)33(32-25)23-10-6-3-7-11-23)36-28-22(17-29)15-21-14-20(12-13-24(21)30-28)19-8-4-2-5-9-19/h2-11,15,18,20H,12-14,16H2,1H3,(H,31,32,35)