(6E)-2-butan-2-ylsulfanyl-5,5-dimethyl-6-[(3-methylphenyl)methylidene]-1H-pyrimidin-4-one

Systemtic Name: (6E)-2-butan-2-ylsulfanyl-5,5-dimethyl-6-[(3-methylphenyl)methylidene]-1H-pyrimidin-4-one Openeye Name: (6E)-5,5-dimethyl-6-(m-tolylmethylene)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: (6E)-2-(butan-2-ylthio)-5,5-dimethyl-6-[(3-methylphenyl)methylidene]-1H-pyrimidin-4-one IUPAC Name: (6E)-2-butan-2-ylsulfanyl-5,5-dimethyl-6-[(3-methylphenyl)methylidene]-1H-pyrimidin-4-one Traditional Name: (6E)-5,5-dimethyl-6-(3-methylbenzylidene)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(C(=CC2=CC(=CC=C2)C)N1)(C)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(/C(=C\C2=CC(=CC=C2)C)/N1)(C)C

InChI

InChI=1S/C18H24N2OS/c1-6-13(3)22-17-19-15(18(4,5)16(21)20-17)11-14-9-7-8-12(2)10-14/h7-11,13H,6H2,1-5H3,(H,19,20,21)/b15-11+