N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-5-chloranyl-2-nitro-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-5-chloranyl-2-nitro-benzamide Openeye Name: 5-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-nitro-benzamide Formula: C15H8ClF2N3O3S2 MolecularWeight: 415.822126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SC(F)F)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1SC(F)F)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H8ClF2N3O3S2/c16-7-1-4-11(21(23)24)9(5-7)13(22)20-15-19-10-3-2-8(25-14(17)18)6-12(10)26-15/h1-6,14H,(H,19,20,22)