3-[[7-(4-chlorophenyl)carbonyl-1-benzothiophen-5-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[7-(4-chlorophenyl)carbonyl-1-benzothiophen-5-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[7-(4-chlorobenzoyl)benzothiophen-5-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[7-[(4-chlorophenyl)-oxomethyl]-1-benzothiophen-5-yl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[7-(4-chlorobenzoyl)-1-benzothiophen-5-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[[7-(4-chlorobenzoyl)benzothiophen-5-yl]methyl]-1H-pyridazin-6-one Formula: C20H13ClN2O2S MolecularWeight: 380.84742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CS3)Cl

InChI

InChI=1S/C20H13ClN2O2S/c21-15-3-1-13(2-4-15)19(25)17-11-12(9-14-7-8-26-20(14)17)10-16-5-6-18(24)23-22-16/h1-9,11H,10H2,(H,23,24)