2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzenethiolate

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzenethiolate Openeye Name: 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzenethiolate CAS Name: 2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzenethiolate IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzenethiolate Traditional Name: 2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzenethiolate Formula: C14H10F3N2S2- MolecularWeight: 327.36781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)[S-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)[S-]

InChI

InChI=1S/C14H11F3N2S2/c15-14(16,17)9-4-3-5-10(8-9)18-13(21)19-11-6-1-2-7-12(11)20/h1-8,20H,(H2,18,19,21)/p-1