2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O2S2 MolecularWeight: 471.39

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O2S2/c1-12-2-4-13(5-3-12)16-10-27-20-18(16)19(26)23-21(24-20)28-11-17(25)14-6-8-15(22)9-7-14/h2-10H,11H2,1H3,(H,23,24,26)