4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(3-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(3-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-isobutyl-6-(3-methylsulfanylphenyl)pyridazin-3-one CAS Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-[3-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(3-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-isobutyl-6-[3-(methylthio)phenyl]pyridazin-3-one Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=CC=C2)SC)CN(CCO)CCO

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=CC=C2)SC)CN(CCO)CCO

InChI

InChI=1S/C20H29N3O3S/c1-15(2)13-23-20(26)17(14-22(7-9-24)8-10-25)12-19(21-23)16-5-4-6-18(11-16)27-3/h4-6,11-12,15,24-25H,7-10,13-14H2,1-3H3