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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H11ClN2OS MolecularWeight: 266.74654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)