2-[(4-fluorophenyl)methylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C14H11FN3O3S- MolecularWeight: 320.318843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

InChI

InChI=1S/C14H12FN3O3S/c15-10-3-1-9(2-4-10)8-16-14(22)17-12-7-11(18(20)21)5-6-13(12)19/h1-7,19H,8H2,(H2,16,17,22)/p-1