N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C17H11ClF3N3O4S MolecularWeight: 445.80015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C17H11ClF3N3O4S/c18-11-3-1-9(2-4-11)5-6-22-15(25)16-23(26)12-7-10(17(19,20)21)8-13(24(27)28)14(12)29-16/h1-4,7-8H,5-6H2,(H,22,25)