3-butyl-4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-1H-pyridazin-6-one

Systemtic Name: 3-butyl-4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloranyl-1H-pyridazin-6-one Openeye Name: 3-butyl-4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-1H-pyridazin-6-one CAS Name: 3-butyl-4-[(4-tert-butylphenyl)methylthio]-5-chloro-1H-pyridazin-6-one IUPAC Name: 3-butyl-4-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-1H-pyridazin-6-one Traditional Name: 3-butyl-4-[(4-tert-butylbenzyl)thio]-5-chloro-1H-pyridazin-6-one Formula: C19H25ClN2OS MolecularWeight: 364.9326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=O)C(=C1SCC2=CC=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CCCCC1=NNC(=O)C(=C1SCC2=CC=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C19H25ClN2OS/c1-5-6-7-15-17(16(20)18(23)22-21-15)24-12-13-8-10-14(11-9-13)19(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,22,23)