2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-6-ethynyl-1,3-benzothiazole

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-6-ethynyl-1,3-benzothiazole Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-6-ethynyl-1,3-benzothiazole CAS Name: 2-(4,4-difluorobut-3-enylthio)-6-ethynyl-1,3-benzothiazole IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-6-ethynyl-1,3-benzothiazole Traditional Name: 2-(4,4-difluorobut-3-enylthio)-6-ethynyl-1,3-benzothiazole Formula: C13H9F2NS2 MolecularWeight: 281.344066

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N=C(S2)SCCC=C(F)F

Isomeric SMILES

C#CC1=CC2=C(C=C1)N=C(S2)SCCC=C(F)F

InChI

InChI=1S/C13H9F2NS2/c1-2-9-5-6-10-11(8-9)18-13(16-10)17-7-3-4-12(14)15/h1,4-6,8H,3,7H2