3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide

Systemtic Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Openeye Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-(1-piperidyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-(1-piperidinyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Traditional Name: 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-piperidino-2-pyrazoline-3-carbothioamide Formula: C21H21BrCl2N4S MolecularWeight: 512.29324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21BrCl2N4S/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12,20H,1-3,10-11,13H2,(H,26,29)