5-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-[ethyl(propyl)sulfamoyl]-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C21H25ClN4O2S2 MolecularWeight: 465.0318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2S2/c1-3-14-25(4-2)30(27,28)24-21(29)26-15-19(16-8-6-5-7-9-16)20(23-26)17-10-12-18(22)13-11-17/h5-13,19H,3-4,14-15H2,1-2H3,(H,24,29)