2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-(p-tolylmethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[(4-methylphenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-methylbenzyl)thio]-1H-pyrimidin-6-one Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=CC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=CC(=O)N2

InChI

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