5-(5-chloranylthiophen-2-yl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(5-chloro-2-thienyl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(5-chloro-2-thiophenyl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(5-chlorothiophen-2-yl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(5-chloro-2-thienyl)-N-(diethylsulfamoyl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H21ClN4O2S3 MolecularWeight: 457.03294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(S2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)NC(=S)N1CC(C(=N1)C2=CC=C(S2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H21ClN4O2S3/c1-3-22(4-2)28(24,25)21-18(26)23-12-14(13-8-6-5-7-9-13)17(20-23)15-10-11-16(19)27-15/h5-11,14H,3-4,12H2,1-2H3,(H,21,26)