2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazino]pyridazin-3-one Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CN=CN4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CN=CN4)C

InChI

InChI=1S/C19H22N6O3S/c1-14-3-4-16(11-15(14)2)25-19(26)6-5-17(22-25)23-7-9-24(10-8-23)29(27,28)18-12-20-13-21-18/h3-6,11-13H,7-10H2,1-2H3,(H,20,21)