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

Systemtic Name: 3-(2-chloranyl-7-methyl-quinolin-3-yl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-7-methyl-3-quinolyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-7-methyl-3-quinolinyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-7-methylquinolin-3-yl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-7-methyl-3-quinolyl)-N-methyl-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4S/c1-13-8-9-15-11-16(20(22)24-17(15)10-13)19-12-18(14-6-4-3-5-7-14)25-26(19)21(27)23-2/h3-11,19H,12H2,1-2H3,(H,23,27)