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

Systemtic Name: 2-[3-chloranyl-5-methyl-4-(2-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3-chloro-4-(4-hydroxy-2-methylsulfonyl-phenoxy)-5-methyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3-chloro-4-(4-hydroxy-2-methylsulfonylphenoxy)-5-methylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3-chloro-4-(4-hydroxy-2-mesyl-phenoxy)-5-methyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C17H14ClN3O6S MolecularWeight: 423.82756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O6S/c1-9-5-10(21-17(24)20-15(23)8-19-21)6-12(18)16(9)27-13-4-3-11(22)7-14(13)28(2,25)26/h3-8,22H,1-2H3,(H,20,23,24)