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

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 5-bromanylfuran-2-carboxylate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C11H10BrN3O4S MolecularWeight: 360.1838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(O2)Br)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(O2)Br)SC

InChI

InChI=1S/C11H10BrN3O4S/c1-6-9(16)15(11(20-2)14-13-6)5-18-10(17)7-3-4-8(12)19-7/h3-4H,5H2,1-2H3