(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 5-bromanyl-2-chloranyl-benzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]methyl ester IUPAC Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C13H11BrClN3O3S MolecularWeight: 404.66674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)SC

InChI

InChI=1S/C13H11BrClN3O3S/c1-7-11(19)18(13(22-2)17-16-7)6-21-12(20)9-5-8(14)3-4-10(9)15/h3-5H,6H2,1-2H3