2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanyl-3,6-bis(fluoranyl)-5-piperazin-1-yl-1H-pyridin-4-one

Systemtic Name: 2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanyl-3,6-bis(fluoranyl)-5-piperazin-1-yl-1H-pyridin-4-one Openeye Name: 2-(3,5-ditert-butyl-4-fluoro-phenyl)sulfanyl-3,6-difluoro-5-piperazin-1-yl-1H-pyridin-4-one CAS Name: 2-[(3,5-ditert-butyl-4-fluorophenyl)thio]-3,6-difluoro-5-(1-piperazinyl)-1H-pyridin-4-one IUPAC Name: 2-(3,5-ditert-butyl-4-fluorophenyl)sulfanyl-3,6-difluoro-5-piperazin-1-yl-1H-pyridin-4-one Traditional Name: 2-[(3,5-ditert-butyl-4-fluoro-phenyl)thio]-3,6-difluoro-5-piperazino-4-pyridone Formula: C23H30F3N3OS MolecularWeight: 453.56401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)SC2=C(C(=O)C(=C(N2)F)N3CCNCC3)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)SC2=C(C(=O)C(=C(N2)F)N3CCNCC3)F

InChI

InChI=1S/C23H30F3N3OS/c1-22(2,3)14-11-13(12-15(16(14)24)23(4,5)6)31-21-17(25)19(30)18(20(26)28-21)29-9-7-27-8-10-29/h11-12,27H,7-10H2,1-6H3,(H,28,30)