5-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one

Systemtic Name: 5-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one Openeye Name: 5-[(4-benzyloxy-3-chloro-phenyl)methyl]-3-(2-thienyl)-1H-pyridazin-6-one CAS Name: 5-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one IUPAC Name: 5-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one Traditional Name: 5-(4-benzoxy-3-chloro-benzyl)-3-(2-thienyl)-1H-pyridazin-6-one Formula: C22H17ClN2O2S MolecularWeight: 408.90058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CC(=NNC3=O)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CC(=NNC3=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-18-12-16(8-9-20(18)27-14-15-5-2-1-3-6-15)11-17-13-19(24-25-22(17)26)21-7-4-10-28-21/h1-10,12-13H,11,14H2,(H,25,26)