[2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzothiazol-5-yl]-dimethyl-sulfino-azanium

Systemtic Name: [2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-1,3-benzothiazol-5-yl]-dimethyl-sulfino-azanium Openeye Name: [2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzothiazol-5-yl]-dimethyl-sulfino-ammonium CAS Name: [2-(4,4-difluorobut-3-enylthio)-1,3-benzothiazol-5-yl]-dimethyl-sulfinoammonium IUPAC Name: [2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzothiazol-5-yl]-dimethyl-sulfinoazanium Traditional Name: [2-(4,4-difluorobut-3-enylthio)-1,3-benzothiazol-5-yl]-dimethyl-sulfino-ammonium Formula: C13H15F2N2O2S3+ MolecularWeight: 365.462206

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC2=C(C=C1)SC(=N2)SCCC=C(F)F)S(=O)O

Isomeric SMILES

C[N+](C)(C1=CC2=C(C=C1)SC(=N2)SCCC=C(F)F)S(=O)O

InChI

InChI=1S/C13H14F2N2O2S3/c1-17(2,22(18)19)9-5-6-11-10(8-9)16-13(21-11)20-7-3-4-12(14)15/h4-6,8H,3,7H2,1-2H3/p+1