[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C19H16N2O6S2/c1-11-6-8-13(9-7-11)29(24,25)27-16-12(4-3-5-15(16)26-2)10-14-17(22)20-19(28)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,28)