2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-ethyl-1H-pyrimidin-4-one Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClN2OS/c1-2-11-7-12(17)16-13(15-11)18-8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H,15,16,17)