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

Systemtic Name: 6-methyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-nitroanilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H10N5O4S- MolecularWeight: 320.3039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H11N5O4S/c1-7-11(19)14-12(16-15-7)22-6-10(18)13-8-2-4-9(5-3-8)17(20)21/h2-5H,6H2,1H3,(H,13,18)(H,14,16,19)/p-1