3-(3-chlorophenyl)-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3-chlorophenyl)-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3-chlorophenyl)-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-chlorophenyl)-5,6-dimethyl-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-chlorophenyl)-5,6-dimethyl-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-chlorophenyl)-5,6-dimethyl-2-(phenacylthio)thieno[2,3-d]pyrimidin-4-one Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H17ClN2O2S2/c1-13-14(2)29-20-19(13)21(27)25(17-10-6-9-16(23)11-17)22(24-20)28-12-18(26)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3