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

Systemtic Name: 2-[[[4-[bis(fluoranyl)methoxy]phenyl]carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(difluoromethoxy)phenyl]carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(difluoromethoxy)anilino]-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(difluoromethoxy)phenyl]carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(difluoromethoxy)phenyl]thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C15H12F2N3O4S- MolecularWeight: 368.335286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F2N3O4S/c16-14(17)24-12-4-1-10(2-5-12)19-15(25)18-8-9-7-11(20(22)23)3-6-13(9)21/h1-7,14,21H,8H2,(H2,18,19,25)/p-1