3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-7-methyl-3-quinolyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-7-methyl-3-quinolinyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-7-methyl-3-quinolyl)-3-(4-methoxyphenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C27H23ClN4OS MolecularWeight: 487.01572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)Cl

InChI

InChI=1S/C27H23ClN4OS/c1-17-8-9-19-15-22(26(28)30-23(19)14-17)25-16-24(18-10-12-21(33-2)13-11-18)31-32(25)27(34)29-20-6-4-3-5-7-20/h3-15,25H,16H2,1-2H3,(H,29,34)