2-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate Formula: C11H8N5O4S- MolecularWeight: 306.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H9N5O4S/c1-6-10(18)15(11(21)14-13-6)12-5-7-4-8(16(19)20)2-3-9(7)17/h2-5,17H,1H3,(H,14,21)/p-1