5-(4-bromophenyl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-bromophenyl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-bromophenyl)-3-(2-chloro-8-methyl-3-quinolyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-bromophenyl)-3-(2-chloro-8-methyl-3-quinolinyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-bromophenyl)-3-(2-chloro-8-methylquinolin-3-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-bromophenyl)-5-(2-chloro-8-methyl-3-quinolyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C26H20BrClN4S MolecularWeight: 535.8858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H20BrClN4S/c1-16-6-5-7-18-14-21(25(28)30-24(16)18)23-15-22(17-10-12-19(27)13-11-17)31-32(23)26(33)29-20-8-3-2-4-9-20/h2-14,23H,15H2,1H3,(H,29,33)