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

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-(p-tolylsulfonylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-(tosylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H16N2O3S2/c1-13-7-9-15(10-8-13)27(24,25)12-17-21-19(23)18-16(11-26-20(18)22-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22,23)