N-[3,5-bis(fluoranyl)-4-octyl-phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

Systemtic Name: N-[3,5-bis(fluoranyl)-4-octyl-phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine Openeye Name: N-(3,5-difluoro-4-octyl-phenyl)-4-(3-pyridyl)thiazol-2-amine CAS Name: N-(3,5-difluoro-4-octylphenyl)-4-(3-pyridinyl)-2-thiazolamine IUPAC Name: N-(3,5-difluoro-4-octylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine Traditional Name: (3,5-difluoro-4-octyl-phenyl)-[4-(3-pyridyl)thiazol-2-yl]amine Formula: C22H25F2N3S MolecularWeight: 401.515806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1F)NC2=NC(=CS2)C3=CN=CC=C3)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1F)NC2=NC(=CS2)C3=CN=CC=C3)F

InChI

InChI=1S/C22H25F2N3S/c1-2-3-4-5-6-7-10-18-19(23)12-17(13-20(18)24)26-22-27-21(15-28-22)16-9-8-11-25-14-16/h8-9,11-15H,2-7,10H2,1H3,(H,26,27)