2-tert-butyl-4-chloranyl-5-[(4-phenylmethoxyphenyl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(4-phenylmethoxyphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 5-[(4-benzyloxyphenyl)methylsulfanyl]-2-tert-butyl-4-chloro-pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(4-phenylmethoxyphenyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(4-phenylmethoxyphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 5-[(4-benzoxybenzyl)thio]-2-tert-butyl-4-chloro-pyridazin-3-one Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O2S/c1-22(2,3)25-21(26)20(23)19(13-24-25)28-15-17-9-11-18(12-10-17)27-14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3