2-chloranyl-3-cyclohexyl-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one

Systemtic Name: 2-chloranyl-3-cyclohexyl-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 2-chloro-3-cyclohexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one CAS Name: 2-chloro-3-cyclohexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-chloro-3-cyclohexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 2-chloro-3-cyclohexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(SC3=C2C(=O)C(=C(N3)O)C4=CC(=CC=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(SC3=C2C(=O)C(=C(N3)O)C4=CC(=CC=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C25H22ClNO3S/c26-23-19(15-8-3-1-4-9-15)21-22(28)20(24(29)27-25(21)31-23)16-10-7-13-18(14-16)30-17-11-5-2-6-12-17/h2,5-7,10-15H,1,3-4,8-9H2,(H2,27,28,29)