5-bromanyl-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[4-(4-propylphenyl)sulfonylpiperazino]-1H-pyridazin-6-one Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)NN=C3)Br

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)NN=C3)Br

InChI

InChI=1S/C17H21BrN4O3S/c1-2-3-13-4-6-14(7-5-13)26(24,25)22-10-8-21(9-11-22)15-12-19-20-17(23)16(15)18/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)