N-(4-chlorophenyl)-4-phenyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-phenyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-phenyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(4-chlorophenyl)-4-phenyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(4-chlorophenyl)-4-phenyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2-pyrazoline-1-carbothioamide Formula: C23H17ClF3N3S MolecularWeight: 459.91439

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClF3N3S/c24-18-10-12-19(13-11-18)28-22(31)30-14-20(15-4-2-1-3-5-15)21(29-30)16-6-8-17(9-7-16)23(25,26)27/h1-13,20H,14H2,(H,28,31)