2-[3,5-bis(chloranyl)-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione

Systemtic Name: 2-[3,5-bis(chloranyl)-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione Openeye Name: 2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione CAS Name: 2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione IUPAC Name: 2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione Traditional Name: 2-[3,5-dichloro-4-(4-mesylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-quinone Formula: C17H15Cl2N3O5S MolecularWeight: 444.2891

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)NC(=O)N1C2=CC(=C(C(=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CN1CC(=O)NC(=O)N1C2=CC(=C(C(=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H15Cl2N3O5S/c1-21-9-15(23)20-17(24)22(21)10-7-13(18)16(14(19)8-10)27-11-3-5-12(6-4-11)28(2,25)26/h3-8H,9H2,1-2H3,(H,20,23,24)