N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C14H9F2N3O3S3 MolecularWeight: 401.431366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)[N+](=O)[O-])SC(=N2)SCC(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)[N+](=O)[O-])SC(=N2)SCC(F)F

InChI

InChI=1S/C14H9F2N3O3S3/c15-11(16)6-23-14-18-8-2-1-7(5-10(8)25-14)17-13(20)9-3-4-12(24-9)19(21)22/h1-5,11H,6H2,(H,17,20)