2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS/c1-15-7-6-10-18-16(2)13-20(23-22(15)18)27-14-21(26)25-12-11-19(24-25)17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3