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

Systemtic Name: 3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-7-ethoxy-3-quinolyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-7-ethoxy-3-quinolinyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-7-ethoxy-3-quinolyl)-3-(4-methoxyphenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C28H25ClN4O2S MolecularWeight: 517.0417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)Cl

InChI

InChI=1S/C28H25ClN4O2S/c1-3-35-22-14-11-19-15-23(27(29)31-24(19)16-22)26-17-25(18-9-12-21(34-2)13-10-18)32-33(26)28(36)30-20-7-5-4-6-8-20/h4-16,26H,3,17H2,1-2H3,(H,30,36)