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

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H9BrN3O2S- MolecularWeight: 339.18776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O2S/c1-7-11(18)14-12(16-15-7)19-6-10(17)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,16,18)/p-1