5-(4-chlorophenyl)-4-(2-fluorophenyl)-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-4-(2-fluorophenyl)-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-4-(2-fluorophenyl)-N-(1-piperidylsulfonyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-4-(2-fluorophenyl)-N-(1-piperidinylsulfonyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-4-(2-fluorophenyl)-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-4-(2-fluorophenyl)-N-piperidinosulfonyl-2-pyrazoline-1-carbothioamide Formula: C21H22ClFN4O2S2 MolecularWeight: 481.006383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)NC(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C21H22ClFN4O2S2/c22-16-10-8-15(9-11-16)20-18(17-6-2-3-7-19(17)23)14-27(24-20)21(30)25-31(28,29)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-14H2,(H,25,30)