(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-bromanylbenzoate

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-bromanylbenzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic 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 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O3S/c1-8-11(18)17(13(21-2)16-15-8)7-20-12(19)9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3