7-nitro-3-oxidanidyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: 7-nitro-3-oxidanidyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 7-nitro-3-oxido-N-[2-(2-pyridyl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 7-nitro-3-oxido-N-[2-(2-pyridinyl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 7-nitro-3-oxido-N-[2-(2-pyridyl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C16H11F3N4O4S MolecularWeight: 412.34315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H11F3N4O4S/c17-16(18,19)9-7-11-13(12(8-9)23(26)27)28-15(22(11)25)14(24)21-6-4-10-3-1-2-5-20-10/h1-3,5,7-8H,4,6H2,(H,21,24)