5-bromanyl-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-1H-pyridazin-6-one Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)NN=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)NN=C3)Br

InChI

InChI=1S/C16H19BrN4O3S/c1-11-3-4-12(2)14(9-11)25(23,24)21-7-5-20(6-8-21)13-10-18-19-16(22)15(13)17/h3-4,9-10H,5-8H2,1-2H3,(H,19,22)