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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-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=CC=C(C2=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=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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