2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2,4-dichlorobenzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H16Cl2N2OS2 MolecularWeight: 459.41124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N2OS2/c1-2-10-26-21(27)19-17(14-6-4-3-5-7-14)13-28-20(19)25-22(26)29-12-15-8-9-16(23)11-18(15)24/h2-9,11,13H,1,10,12H2