7-nitro-3-oxidanidyl-5-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: 7-nitro-3-oxidanidyl-5-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 7-nitro-3-oxido-5-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-mesityl-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C18H14F3N3O4S/c1-8-4-9(2)14(10(3)5-8)22-16(25)17-23(26)12-6-11(18(19,20)21)7-13(24(27)28)15(12)29-17/h4-7H,1-3H3,(H,22,25)