5-(4-fluorophenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxopropylthio)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxopropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17FN2O2S2 MolecularWeight: 424.510983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O2S2/c1-13(26)12-28-22-24-20-19(21(27)25(22)17-6-4-3-5-7-17)18(14(2)29-20)15-8-10-16(23)11-9-15/h3-11H,12H2,1-2H3