(3S)-5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C32H25ClN4O2S MolecularWeight: 565.0845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=S)NC3=CC=CC=C3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=S)NC3=CC=CC=C3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C32H25ClN4O2S/c1-39-24-15-12-20(13-16-24)28-19-27(36-37(28)32(40)34-23-10-6-3-7-11-23)30-29(21-8-4-2-5-9-21)25-18-22(33)14-17-26(25)35-31(30)38/h2-19,28,36H,1H3,(H,34,40)(H,35,38)/t28-/m0/s1