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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NN(C(=O)C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H19N5O2S/c22-12-15-10-14-6-4-5-9-17(14)23-21(15)29-13-19(27)24-18-11-20(28)26(25-18)16-7-2-1-3-8-16/h1-3,7-8,10H,4-6,9,11,13H2,(H,24,25,27)