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

Systemtic Name: 5-(3-bromophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-[4-(trifluoromethyl)phenyl]-2-pyrazoline-1-carbothioamide Formula: C17H13BrF3N3S MolecularWeight: 428.26943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrF3N3S/c18-13-3-1-2-11(10-13)15-8-9-24(23-15)16(25)22-14-6-4-12(5-7-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)