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

Systemtic Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CN(CCO)CCO)CC3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CN(CCO)CCO)CC3CC3

InChI

InChI=1S/C20H27N3O3S/c1-27-18-6-4-16(5-7-18)19-12-17(14-22(8-10-24)9-11-25)20(26)23(21-19)13-15-2-3-15/h4-7,12,15,24-25H,2-3,8-11,13-14H2,1H3