4,5-bis(chloranyl)-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[1-(3-methylsulfonylpropyl)-2-benzimidazolyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[1-(3-mesylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one Formula: C16H16Cl2N4O3S MolecularWeight: 415.29424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCN1C2=CC=CC=C2N=C1CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)CCCN1C2=CC=CC=C2N=C1CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H16Cl2N4O3S/c1-26(24,25)8-4-7-21-13-6-3-2-5-12(13)20-14(21)10-22-16(23)15(18)11(17)9-19-22/h2-3,5-6,9H,4,7-8,10H2,1H3