[2-(4-chlorophenyl)quinolin-4-yl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)quinolin-4-yl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)-4-quinolyl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: [2-(4-chlorophenyl)-4-quinolinyl]-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: [2-(4-chlorophenyl)quinolin-4-yl]-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: [2-(4-chlorophenyl)-4-quinolyl]-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C27H20ClN3OS MolecularWeight: 469.9852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C)SC5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3OS/c1-17-26(33-21-8-4-3-5-9-21)18(2)31(30-17)27(32)23-16-25(19-12-14-20(28)15-13-19)29-24-11-7-6-10-22(23)24/h3-16H,1-2H3