N-[2,4-bis(fluoranyl)phenyl]-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-(2,4-difluorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-(2,4-difluorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-(2,4-difluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-(2,4-difluorophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H12BrF2N3S MolecularWeight: 396.252386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF2N3S/c17-11-3-1-2-10(8-11)14-6-7-22(21-14)16(23)20-15-5-4-12(18)9-13(15)19/h1-5,8-9H,6-7H2,(H,20,23)