2-(3-methylsulfanylpropylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(3-methylsulfanylpropylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(3-methylsulfanylpropylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(3-methylsulfanylpropylcarbamothioylamino)-4-nitrophenolate Traditional Name: 2-[3-(methylthio)propylthiocarbamoylamino]-4-nitro-phenolate Formula: C11H14N3O3S2- MolecularWeight: 300.37716

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CSCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H15N3O3S2/c1-19-6-2-5-12-11(18)13-9-7-8(14(16)17)3-4-10(9)15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,18)/p-1