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

Systemtic Name: 6-methyl-3-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12N5O4S- MolecularWeight: 334.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c1-7-3-4-9(5-10(7)18(21)22)14-11(19)6-23-13-15-12(20)8(2)16-17-13/h3-5H,6H2,1-2H3,(H,14,19)(H,15,17,20)/p-1