5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloranyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloranyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloro-pyridazin-3-one CAS Name: 5-[(4-tert-butylphenyl)methylthio]-4-chloro-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one Traditional Name: 2-benzyl-5-[(4-tert-butylbenzyl)thio]-4-chloro-pyridazin-3-one Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-22(2,3)18-11-9-17(10-12-18)15-27-19-13-24-25(21(26)20(19)23)14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3