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

Systemtic Name: 3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2-bromoanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H10BrN4O2S- MolecularWeight: 354.2024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=CC=C2Br)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=CC=C2Br)[O-]

InChI

InChI=1S/C12H11BrN4O2S/c1-7-11(19)15-12(17-16-7)20-6-10(18)14-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,14,18)(H,15,17,19)/p-1