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

Systemtic Name: 2-chloranyl-3-hexyl-6-oxidanyl-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Openeye Name: 2-chloro-3-hexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one CAS Name: 2-chloro-3-hexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one IUPAC Name: 2-chloro-3-hexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Traditional Name: 2-chloro-3-hexyl-6-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC2=C1C(=O)C(=C(N2)O)C3=CC(=CC=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCCCC1=C(SC2=C1C(=O)C(=C(N2)O)C3=CC(=CC=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3S/c1-2-3-4-8-14-19-21-22(28)20(24(29)27-25(21)31-23(19)26)16-10-9-13-18(15-16)30-17-11-6-5-7-12-17/h5-7,9-13,15H,2-4,8,14H2,1H3,(H2,27,28,29)