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

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic 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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C(=NN=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C(=NN=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-8-4-5-10(6-11(8)18(21)22)13(20)23-7-17-12(19)9(2)15-16-14(17)24-3/h4-6H,7H2,1-3H3