2-chloranyl-5-(3-phenoxyphenyl)-3-propan-2-yl-6-sulfanyl-7H-thieno[2,3-b]pyridin-4-one

Systemtic Name: 2-chloranyl-5-(3-phenoxyphenyl)-3-propan-2-yl-6-sulfanyl-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 2-chloro-3-isopropyl-5-(3-phenoxyphenyl)-6-sulfanyl-7H-thieno[2,3-b]pyridin-4-one CAS Name: 2-chloro-6-mercapto-5-(3-phenoxyphenyl)-3-propan-2-yl-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-chloro-5-(3-phenoxyphenyl)-3-propan-2-yl-6-sulfanyl-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 2-chloro-3-isopropyl-6-mercapto-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Formula: C22H18ClNO2S2 MolecularWeight: 427.96682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(SC2=C1C(=O)C(=C(N2)S)C3=CC(=CC=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=C(SC2=C1C(=O)C(=C(N2)S)C3=CC(=CC=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClNO2S2/c1-12(2)16-18-19(25)17(21(27)24-22(18)28-20(16)23)13-7-6-10-15(11-13)26-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,24,25,27)