5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O2S2/c1-22(2)27(24,25)21-18(26)23-12-16(13-6-4-3-5-7-13)17(20-23)14-8-10-15(19)11-9-14/h3-11,16H,12H2,1-2H3,(H,21,26)