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

Systemtic Name: 2-methoxy-6-[(Z)-(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-methoxy-6-[(Z)-(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-methoxy-6-[(Z)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-methoxy-6-[(Z)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(Z)-(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C12H10N5O5S- MolecularWeight: 336.3033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5S/c1-6-11(19)16(12(23)15-14-6)13-5-7-3-8(17(20)21)4-9(22-2)10(7)18/h3-5,18H,1-2H3,(H,15,23)/p-1/b13-5-