2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-chloro-6-fluoro-benzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H18ClFN2OS2 MolecularWeight: 456.983223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=CC=C4Cl)F)CC=C

InChI

InChI=1S/C23H18ClFN2OS2/c1-3-11-27-22(28)20-16(15-9-7-14(2)8-10-15)12-29-21(20)26-23(27)30-13-17-18(24)5-4-6-19(17)25/h3-10,12H,1,11,13H2,2H3