5-(3-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-(2-chlorophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H13BrClN3S MolecularWeight: 394.71652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC(=CC=C2)Br)C(=S)N)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(N(N=C1C2=CC(=CC=C2)Br)C(=S)N)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H13BrClN3S/c17-11-5-3-4-10(8-11)14-9-15(21(20-14)16(19)22)12-6-1-2-7-13(12)18/h1-8,15H,9H2,(H2,19,22)