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

Systemtic Name: 4-chloranyl-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-propan-2-ylsulfanyl-pyridazin-3-one Openeye Name: 4-chloro-5-isopropylsulfanyl-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one CAS Name: 4-chloro-2-[[1-(3-methylsulfonylpropyl)-2-benzimidazolyl]methyl]-5-(propan-2-ylthio)-3-pyridazinone IUPAC Name: 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-propan-2-ylsulfanylpyridazin-3-one Traditional Name: 4-chloro-5-(isopropylthio)-2-[[1-(3-mesylpropyl)benzimidazol-2-yl]methyl]pyridazin-3-one Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=O)N(N=C1)CC2=NC3=CC=CC=C3N2CCCS(=O)(=O)C)Cl

Isomeric SMILES

CC(C)SC1=C(C(=O)N(N=C1)CC2=NC3=CC=CC=C3N2CCCS(=O)(=O)C)Cl

InChI

InChI=1S/C19H23ClN4O3S2/c1-13(2)28-16-11-21-24(19(25)18(16)20)12-17-22-14-7-4-5-8-15(14)23(17)9-6-10-29(3,26)27/h4-5,7-8,11,13H,6,9-10,12H2,1-3H3