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

Systemtic Name: 3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(3-bromophenyl)-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C16H14BrN3S MolecularWeight: 360.27146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3S/c17-13-8-4-7-12(9-13)15-10-14(19-20(15)16(18)21)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,18,21)