2-[(3-ethylphenyl)carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(3-ethylphenyl)carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(3-ethylphenyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[(3-ethylanilino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(3-ethylphenyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3-ethylphenyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C15H14N3O3S- MolecularWeight: 316.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H15N3O3S/c1-2-10-4-3-5-11(8-10)16-15(22)17-13-9-12(18(20)21)6-7-14(13)19/h3-9,19H,2H2,1H3,(H2,16,17,22)/p-1