[2-methoxy-4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H17N5O7S2 MolecularWeight: 491.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=O)C(=NNC3=S)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=O)C(=NNC3=S)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S2/c1-11-4-6-14(9-15(11)24(26)27)33(28,29)31-16-7-5-13(8-17(16)30-3)10-20-23-18(25)12(2)21-22-19(23)32/h4-10H,1-3H3,(H,22,32)