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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NC3=CC(=CC=C3)Cl

InChI

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