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

Systemtic Name: 5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-5-(p-tolyl)-3H-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)NC(=N3)SCC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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