N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-cyano-cyclopropane-1-carboxamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-cyano-cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C14H11F2N3OS2 MolecularWeight: 339.383446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

Isomeric SMILES

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

InChI

InChI=1S/C14H11F2N3OS2/c15-11(16)6-21-13-19-9-2-1-8(5-10(9)22-13)18-12(20)14(7-17)3-4-14/h1-2,5,11H,3-4,6H2,(H,18,20)