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

Systemtic Name: 6-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C12H10BrN4O3S- MolecularWeight: 370.2018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=NC2=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NNC(=NC2=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O3S/c1-6-4-7(2-3-8(6)13)14-9(18)5-21-11-10(19)15-12(20)17-16-11/h2-4H,5H2,1H3,(H,14,18)(H2,15,17,19,20)/p-1