2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C32H25N3O2S2 MolecularWeight: 547.6898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65)CC=C

InChI

InChI=1S/C32H25N3O2S2/c1-3-17-35-31(37)27-25(21-15-13-20(2)14-16-21)19-38-30(27)34-32(35)39-29(22-9-5-4-6-10-22)28(36)24-18-33-26-12-8-7-11-23(24)26/h3-16,18-19,29,33H,1,17H2,2H3