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

Systemtic Name: 3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,2,4-triazin-5-olate Formula: C11H8N5O4S- MolecularWeight: 306.27732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5O4S/c17-9-5-12-15-11(14-9)21-6-10(18)13-7-2-1-3-8(4-7)16(19)20/h1-5H,6H2,(H,13,18)(H,14,15,17)/p-1