2-[[2-(methylsulfanylmethylsulfanyl)-5-propan-2-yl-phenyl]methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[2-(methylsulfanylmethylsulfanyl)-5-propan-2-yl-phenyl]methyl]-1H-pyrimidin-6-one Openeye Name: 2-[[5-isopropyl-2-(methylsulfanylmethylsulfanyl)phenyl]methyl]-1H-pyrimidin-6-one CAS Name: 2-[[2-[(methylthio)methylthio]-5-propan-2-ylphenyl]methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[[2-(methylsulfanylmethylsulfanyl)-5-propan-2-ylphenyl]methyl]-1H-pyrimidin-6-one Traditional Name: 2-[5-isopropyl-2-[(methylthio)methylthio]benzyl]-1H-pyrimidin-6-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)SCSC)CC2=NC=CC(=O)N2

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)SCSC)CC2=NC=CC(=O)N2

InChI

InChI=1S/C16H20N2OS2/c1-11(2)12-4-5-14(21-10-20-3)13(8-12)9-15-17-7-6-16(19)18-15/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)