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

Systemtic Name: 5-(4-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(2-oxopropylthio)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(2-oxopropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S2/c1-14-8-10-16(11-9-14)18-13-27-20-19(18)21(26)24(17-6-4-3-5-7-17)22(23-20)28-12-15(2)25/h3-11,13H,12H2,1-2H3