3-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,2,4-triazin-5-olate Formula: C12H10N5O5S- MolecularWeight: 336.3033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CN=N2)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CN=N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S/c1-22-7-2-3-8(9(4-7)17(20)21)14-11(19)6-23-12-15-10(18)5-13-16-12/h2-5H,6H2,1H3,(H,14,19)(H,15,16,18)/p-1