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

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 3-methoxybenzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-9-12(18)17(14(22-3)16-15-9)8-21-13(19)10-5-4-6-11(7-10)20-2/h4-7H,8H2,1-3H3