2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2CC=C

InChI

InChI=1S/C27H26N2O2S2/c1-5-15-29-26(31)23-22(20-11-7-17(3)8-12-20)16-32-25(23)28-27(29)33-18(4)24(30)21-13-9-19(6-2)10-14-21/h5,7-14,16,18H,1,6,15H2,2-4H3