5-bromanyl-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-pyridazine-3,6-dione

Systemtic Name: 5-bromanyl-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-pyridazine-3,6-dione Openeye Name: 5-bromo-1-methyl-2-phenyl-4-(p-tolylsulfonylmethyl)pyridazine-3,6-dione CAS Name: 5-bromo-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyridazine-3,6-dione IUPAC Name: 5-bromo-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyridazine-3,6-dione Traditional Name: 5-bromo-1-methyl-2-phenyl-4-(tosylmethyl)pyridazine-3,6-quinone Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=O)N(N(C2=O)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=O)N(N(C2=O)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C19H17BrN2O4S/c1-13-8-10-15(11-9-13)27(25,26)12-16-17(20)19(24)21(2)22(18(16)23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3