N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)benzyl]nicotinamide Formula: C21H13F3N4O4S MolecularWeight: 474.41253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(F)(F)F

InChI

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