2-[1-(4-methylphenyl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-methylphenyl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[1-(p-tolylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[(4-methylphenyl)thio]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(4-methylphenyl)sulfanylethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[1-(p-tolylthio)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS2 MolecularWeight: 378.51042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18N2OS2/c1-13-8-10-16(11-9-13)26-14(2)19-22-20(24)18-17(12-25-21(18)23-19)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,22,23,24)