2-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-ethyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN2OS2 MolecularWeight: 426.98206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)Cl)SC=C2C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)Cl)SC=C2C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19ClN2OS2/c1-3-25-21(26)19-18(16-8-4-14(2)5-9-16)13-27-20(19)24-22(25)28-12-15-6-10-17(23)11-7-15/h4-11,13H,3,12H2,1-2H3