2-[(3-chlorophenyl)methyl]-7-cyclohexyl-5-methyl-3-(3-oxidanylpropoxy)thieno[2,3-d]pyridazin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methyl]-7-cyclohexyl-5-methyl-3-(3-oxidanylpropoxy)thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[(3-chlorophenyl)methyl]-7-cyclohexyl-3-(3-hydroxypropoxy)-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 2-[(3-chlorophenyl)methyl]-7-cyclohexyl-3-(3-hydroxypropoxy)-5-methyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(3-chlorophenyl)methyl]-7-cyclohexyl-3-(3-hydroxypropoxy)-5-methylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-(3-chlorobenzyl)-7-cyclohexyl-3-(3-hydroxypropoxy)-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=N1)C3CCCCC3)SC(=C2OCCCO)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C(=O)C2=C(C(=N1)C3CCCCC3)SC(=C2OCCCO)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-26-23(28)19-21(29-12-6-11-27)18(14-15-7-5-10-17(24)13-15)30-22(19)20(25-26)16-8-3-2-4-9-16/h5,7,10,13,16,27H,2-4,6,8-9,11-12,14H2,1H3