2-[(4-chlorophenyl)methylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3OS/c18-15-5-3-12(4-6-15)11-23-17-20-10-14(16(22)21-17)8-13-2-1-7-19-9-13/h1-7,9-10H,8,11H2,(H,20,21,22)