5-(4-methylphenyl)-2-phenacylsulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-phenacylsulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-phenacylsulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(phenacylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-phenacylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(phenacylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H20N2O2S2 MolecularWeight: 432.5578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O2S2/c1-3-13-26-23(28)21-19(17-11-9-16(2)10-12-17)14-29-22(21)25-24(26)30-15-20(27)18-7-5-4-6-8-18/h3-12,14H,1,13,15H2,2H3