1-[2,5-bis(fluoranyl)phenyl]-1-(5-methylsulfonylpentylsulfinyl)-1,3-benzothiazole

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-1-(5-methylsulfonylpentylsulfinyl)-1,3-benzothiazole Openeye Name: 1-(2,5-difluorophenyl)-1-(5-methylsulfonylpentylsulfinyl)-1,3-benzothiazole CAS Name: 1-(2,5-difluorophenyl)-1-(5-methylsulfonylpentylsulfinyl)-1,3-benzothiazole IUPAC Name: 1-(2,5-difluorophenyl)-1-(5-methylsulfonylpentylsulfinyl)-1,3-benzothiazole Traditional Name: 1-(2,5-difluorophenyl)-1-(5-mesylpentylsulfinyl)-1,3-benzothiazole Formula: C19H21F2NO3S3 MolecularWeight: 445.566746

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCS(=O)S1(C=NC2=CC=CC=C21)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CS(=O)(=O)CCCCCS(=O)S1(C=NC2=CC=CC=C21)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C19H21F2NO3S3/c1-27(24,25)12-6-2-5-11-26(23)28(19-13-15(20)9-10-16(19)21)14-22-17-7-3-4-8-18(17)28/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3