6-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(2-cyano-4-nitroanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(2-cyano-4-nitroanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-(2-cyano-4-nitro-anilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C12H7N6O5S- MolecularWeight: 347.28618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C12H8N6O5S/c13-4-6-3-7(18(22)23)1-2-8(6)14-9(19)5-24-11-10(20)15-12(21)17-16-11/h1-3H,5H2,(H,14,19)(H2,15,17,20,21)/p-1