2-[[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(difluoromethylsulfanyl)phenyl]carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(difluoromethylthio)phenyl]thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C15H12F2N3O3S2- MolecularWeight: 384.400886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])SC(F)F

InChI

InChI=1S/C15H13F2N3O3S2/c16-14(17)25-12-4-1-10(2-5-12)19-15(24)18-8-9-7-11(20(22)23)3-6-13(9)21/h1-7,14,21H,8H2,(H2,18,19,24)/p-1