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

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-(p-tolylsulfonylmethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[(4-methylphenyl)sulfonylmethylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-methylphenyl)sulfonylmethylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-(tosylmethylthio)-1H-pyrimidin-6-one Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S2/c1-9-2-4-10(5-3-9)19(16,17)8-18-12-13-7-6-11(15)14-12/h2-7H,8H2,1H3,(H,13,14,15)