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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-(2-phenyl-4-quinolyl)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=CC=C4)C)SC5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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