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

Systemtic Name: 5-(4-methylphenyl)-2-phenacylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(phenacylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-phenacylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O2S2/c1-13-7-9-14(10-8-13)16-11-26-20-18(16)19(25)22-21(23-20)27-12-17(24)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,23,25)