5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(6-chloro-2-methyl-4-phenyl-3-quinolinyl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(6-chloro-2-methyl-4-phenyl-3-quinolyl)-5-(4-methoxyphenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C33H27ClN4OS MolecularWeight: 563.11168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC=C6

InChI

InChI=1S/C33H27ClN4OS/c1-21-31(32(23-9-5-3-6-10-23)27-19-24(34)15-18-28(27)35-21)29-20-30(22-13-16-26(39-2)17-14-22)38(37-29)33(40)36-25-11-7-4-8-12-25/h3-19,30H,20H2,1-2H3,(H,36,40)