2-[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3,5-dimethyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-(4-hydroxy-2-methylsulfonyl-phenoxy)-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-(4-hydroxy-2-methylsulfonylphenoxy)-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-(4-hydroxy-2-mesyl-phenoxy)-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)S(=O)(=O)C)C)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C18H17N3O6S/c1-10-6-12(21-18(24)20-16(23)9-19-21)7-11(2)17(10)27-14-5-4-13(22)8-15(14)28(3,25)26/h4-9,22H,1-3H3,(H,20,23,24)