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

Systemtic Name: 2-[[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3-fluoro-4-methyl-phenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-fluoro-4-methylphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C15H13FN3O3S- MolecularWeight: 334.345423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])F

InChI

InChI=1S/C15H14FN3O3S/c1-9-2-3-11(7-13(9)16)18-15(23)17-8-10-6-12(19(21)22)4-5-14(10)20/h2-7,20H,8H2,1H3,(H2,17,18,23)/p-1