2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 2-methyl-4-octyl-3-(trifluoromethyl)-1H-1,2,4-triazol-4-ium-5-thione Formula: C12H21F3N3S+ MolecularWeight: 296.37545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(NC1=S)C)C(F)(F)F

Isomeric SMILES

CCCCCCCC[N+]1=C(N(NC1=S)C)C(F)(F)F

InChI

InChI=1S/C12H20F3N3S/c1-3-4-5-6-7-8-9-18-10(12(13,14)15)17(2)16-11(18)19/h3-9H2,1-2H3/p+1