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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C=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=CC=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/c1-39-28-15-9-8-14-23(28)27-19-26(36-37(27)32(40)34-22-12-6-3-7-13-22)30-29(20-10-4-2-5-11-20)24-18-21(33)16-17-25(24)35-31(30)38/h2-19,27,36H,1H3,(H,34,40)(H,35,38)/t27-/m0/s1