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

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-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 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C13H11ClN4O5S MolecularWeight: 370.76824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])SC

InChI

InChI=1S/C13H11ClN4O5S/c1-7-11(19)17(13(24-2)16-15-7)6-23-12(20)9-5-8(14)3-4-10(9)18(21)22/h3-5H,6H2,1-2H3