5-butylsulfanyl-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 5-butylsulfanyl-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-5-butylsulfanyl-2-phenyl-pyridazin-3-one CAS Name: 5-(butylthio)-2-phenyl-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-5-butylsulfanyl-2-phenylpyridazin-3-one Traditional Name: 4-(benzylthio)-5-(butylthio)-2-phenyl-pyridazin-3-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS2/c1-2-3-14-25-19-15-22-23(18-12-8-5-9-13-18)21(24)20(19)26-16-17-10-6-4-7-11-17/h4-13,15H,2-3,14,16H2,1H3