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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-6-[(methylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-6-[(methylthio)methyl]-1H-pyrimidin-4-one Formula: C13H13ClN2OS2 MolecularWeight: 312.83812

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN2OS2/c1-18-8-11-6-12(17)16-13(15-11)19-7-9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3,(H,15,16,17)