2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(3-fluoro-4-methylphenyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C14H11FN3O3S- MolecularWeight: 320.318843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

InChI

InChI=1S/C14H12FN3O3S/c1-8-2-3-9(6-11(8)15)16-14(22)17-12-7-10(18(20)21)4-5-13(12)19/h2-7,19H,1H3,(H2,16,17,22)/p-1