1-methyl-3-[4-(4-methylsulfonylphenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-methyl-3-[4-(4-methylsulfonylphenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-methyl-3-[4-(4-methylsulfonylphenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-methyl-3-[4-[(4-methylsulfonylphenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-methyl-3-[4-(4-methylsulfonylphenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(4-mesylphenyl)thio]phenyl]-3-methyl-isocyanuric acid Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15N3O5S2/c1-19-15(21)18-16(22)20(17(19)23)11-3-5-12(6-4-11)26-13-7-9-14(10-8-13)27(2,24)25/h3-10H,1-2H3,(H,18,21,22)