[3,5-bis(fluoranyl)-4-(thian-4-yl)phenyl]carbamic acid

Systemtic Name: [3,5-bis(fluoranyl)-4-(thian-4-yl)phenyl]carbamic acid Openeye Name: (3,5-difluoro-4-tetrahydrothiopyran-4-yl-phenyl)carbamic acid CAS Name: [3,5-difluoro-4-(4-thianyl)phenyl]carbamic acid IUPAC Name: [3,5-difluoro-4-(thian-4-yl)phenyl]carbamic acid Traditional Name: (3,5-difluoro-4-tetrahydrothiopyran-4-yl-phenyl)carbamic acid Formula: C12H13F2NO2S MolecularWeight: 273.298926

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C2=C(C=C(C=C2F)NC(=O)O)F

Isomeric SMILES

C1CSCCC1C2=C(C=C(C=C2F)NC(=O)O)F

InChI

InChI=1S/C12H13F2NO2S/c13-9-5-8(15-12(16)17)6-10(14)11(9)7-1-3-18-4-2-7/h5-7,15H,1-4H2,(H,16,17)