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

Systemtic Name: 3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-7-methyl-3-quinolyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-7-methyl-3-quinolinyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-7-methyl-3-quinolyl)-3-(4-methoxyphenyl)-N-methyl-2-pyrazoline-1-carbothioamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4OS/c1-13-4-5-15-11-17(21(23)25-18(15)10-13)20-12-19(26-27(20)22(29)24-2)14-6-8-16(28-3)9-7-14/h4-11,20H,12H2,1-3H3,(H,24,29)