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

Systemtic Name: 3-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12N5O5S- MolecularWeight: 350.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O5S/c1-7-12(20)15-13(17-16-7)24-6-11(19)14-9-4-3-8(23-2)5-10(9)18(21)22/h3-5H,6H2,1-2H3,(H,14,19)(H,15,17,20)/p-1