5-ethanoyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5-ethanoyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-acetyl-3-(p-tolyl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-acetyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-acetyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-acetyl-3-(p-tolyl)-2-thioxo-hexahydropyrimidin-4-one Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(CNC2=S)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(CNC2=S)C(=O)C

InChI

InChI=1S/C13H14N2O2S/c1-8-3-5-10(6-4-8)15-12(17)11(9(2)16)7-14-13(15)18/h3-6,11H,7H2,1-2H3,(H,14,18)