5-[(2-bromophenyl)carbonylcarbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-[(2-bromophenyl)carbonylcarbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-[(2-bromobenzoyl)carbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-[(2-bromobenzoyl)carbamothioylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-[(2-bromobenzoyl)thiocarbamoylamino]-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C19H13BrF3N5O2S MolecularWeight: 512.30303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC=C3C(F)(F)F)C(=O)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=NN2C3=CC=CC=C3C(F)(F)F)C(=O)N)Br

InChI

InChI=1S/C19H13BrF3N5O2S/c20-13-7-3-1-5-10(13)17(30)27-18(31)26-16-11(15(24)29)9-25-28(16)14-8-4-2-6-12(14)19(21,22)23/h1-9H,(H2,24,29)(H2,26,27,30,31)