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

Systemtic Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Openeye Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carbothioamide CAS Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-(1-pyrrolidinyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: 3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carbothioamide Traditional Name: 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-pyrrolidino-2-pyrazoline-3-carbothioamide Formula: C20H19BrCl2N4S MolecularWeight: 498.26666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19BrCl2N4S/c21-14-5-3-13(4-6-14)19-12-17(20(28)25-26-9-1-2-10-26)24-27(19)18-8-7-15(22)11-16(18)23/h3-8,11,19H,1-2,9-10,12H2,(H,25,28)