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

Systemtic Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Openeye Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-piperidyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-piperidinyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Traditional Name: 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-piperidino-2-pyrazoline-3-carbothioamide Formula: C21H21Cl2IN4S MolecularWeight: 559.29371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2IN4S/c22-15-6-9-19(17(23)12-15)28-20(14-4-7-16(24)8-5-14)13-18(25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12,20H,1-3,10-11,13H2,(H,26,29)