6-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one

Systemtic Name: 6-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Openeye Name: 6-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one CAS Name: 6-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenyl-3-pyridazinone IUPAC Name: 6-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one Traditional Name: 6-(4-mesyl-1,4-diazepan-1-yl)-2-phenyl-pyridazin-3-one Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3S/c1-24(22,23)19-11-5-10-18(12-13-19)15-8-9-16(21)20(17-15)14-6-3-2-4-7-14/h2-4,6-9H,5,10-13H2,1H3