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

Systemtic Name: 2-[(methylcarbamothioylamino)methyl]-4-nitro-phenolate Openeye Name: 2-[(methylcarbamothioylamino)methyl]-4-nitro-phenolate CAS Name: 2-[[[methylamino(sulfanylidene)methyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[(methylcarbamothioylamino)methyl]-4-nitrophenolate Traditional Name: 2-[(methylthiocarbamoylamino)methyl]-4-nitro-phenolate Formula: C9H10N3O3S- MolecularWeight: 240.259

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H11N3O3S/c1-10-9(16)11-5-6-4-7(12(14)15)2-3-8(6)13/h2-4,13H,5H2,1H3,(H2,10,11,16)/p-1