5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-(p-tolylmethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(4-methylbenzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CNC(=S)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CNC(=S)NC2=O

InChI

InChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)6-10-7-13-12(16)14-11(10)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)