N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C16H11F2N3O3S2 MolecularWeight: 395.403646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F2N3O3S2/c1-8-6-9(2-5-12(8)21(23)24)14(22)20-16-19-11-4-3-10(25-15(17)18)7-13(11)26-16/h2-7,15H,1H3,(H,19,20,22)