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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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