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

Systemtic Name: 3-[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-chloro-2-nitroanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-chloro-2-nitro-anilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H9ClN5O4S- MolecularWeight: 354.74896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5O4S/c1-6-11(20)15-12(17-16-6)23-5-10(19)14-8-3-2-7(13)4-9(8)18(21)22/h2-4H,5H2,1H3,(H,14,19)(H,15,17,20)/p-1