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

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic 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-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C17H20N4O6S2 MolecularWeight: 440.4939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)SC

InChI

InChI=1S/C17H20N4O6S2/c1-12-15(22)21(17(28-2)19-18-12)11-27-16(23)13-3-5-14(6-4-13)29(24,25)20-7-9-26-10-8-20/h3-6H,7-11H2,1-2H3