N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)benzyl]nicotinamide Formula: C21H13F3N4O4S MolecularWeight: 474.41253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N4O4S/c22-21(23,24)14-3-1-2-12(8-14)10-27-11-13(4-7-18(27)29)19(30)26-20-25-16-6-5-15(28(31)32)9-17(16)33-20/h1-9,11H,10H2,(H,25,26,30)