3-(bromomethyl)-2-(4-methoxyphenyl)-5-methyl-7-(phenylmethyl)thieno[2,3-b]pyridin-4-one

Systemtic Name: 3-(bromomethyl)-2-(4-methoxyphenyl)-5-methyl-7-(phenylmethyl)thieno[2,3-b]pyridin-4-one Openeye Name: 7-benzyl-3-(bromomethyl)-2-(4-methoxyphenyl)-5-methyl-thieno[2,3-b]pyridin-4-one CAS Name: 3-(bromomethyl)-2-(4-methoxyphenyl)-5-methyl-7-(phenylmethyl)-4-thieno[2,3-b]pyridinone IUPAC Name: 7-benzyl-3-(bromomethyl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridin-4-one Traditional Name: 7-benzyl-3-(bromomethyl)-2-(4-methoxyphenyl)-5-methyl-thieno[2,3-b]pyridin-4-one Formula: C23H20BrNO2S MolecularWeight: 454.3794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CBr)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CBr)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO2S/c1-15-13-25(14-16-6-4-3-5-7-16)23-20(21(15)26)19(12-24)22(28-23)17-8-10-18(27-2)11-9-17/h3-11,13H,12,14H2,1-2H3