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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-bromophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-bromobenzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17BrN2OS2 MolecularWeight: 469.41718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2OS2/c1-2-11-25-21(26)19-18(16-8-4-3-5-9-16)14-27-20(19)24-22(25)28-13-15-7-6-10-17(23)12-15/h2-10,12,14H,1,11,13H2