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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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