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

Systemtic Name: [2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-bromanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C18H13BrN2O5S2 MolecularWeight: 481.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H13BrN2O5S2/c1-10-2-5-13(6-3-10)28(24,25)26-15-7-4-12(19)8-11(15)9-14-16(22)20-18(27)21-17(14)23/h2-9H,1H3,(H2,20,21,22,23,27)