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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-6-isopropyl-1H-pyrimidin-4-one Formula: C14H15ClN2OS MolecularWeight: 294.7997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2OS/c1-9(2)12-7-13(18)17-14(16-12)19-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,17,18)