(3S)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-N-methyl-5-(4-methylphenyl)-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-N-methyl-5-(4-methylphenyl)-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3-(2-chloro-7-methyl-3-quinolyl)-N-methyl-5-(p-tolyl)-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(2-chloro-7-methyl-3-quinolinyl)-N-methyl-5-(4-methylphenyl)-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3-(2-chloro-7-methylquinolin-3-yl)-N-methyl-5-(4-methylphenyl)-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-5-(2-chloro-7-methyl-3-quinolyl)-N-methyl-3-(p-tolyl)-3-pyrazoline-1-carbothioamide Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=S)NC)C3=C(N=C4C=C(C=CC4=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=S)NC)C3=C(N=C4C=C(C=CC4=C3)C)Cl

InChI

InChI=1S/C22H21ClN4S/c1-13-4-7-15(8-5-13)19-12-20(27(26-19)22(28)24-3)17-11-16-9-6-14(2)10-18(16)25-21(17)23/h4-12,20,26H,1-3H3,(H,24,28)/t20-/m0/s1