1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate

Systemtic Name: 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C16H20F3N3S MolecularWeight: 343.41031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CN=C(N(C2)C3=CC=CC(=C3)C(F)(F)F)[S-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CN=C(N(C2)C3=CC=CC(=C3)C(F)(F)F)[S-]

InChI

InChI=1S/C16H20F3N3S/c17-16(18,19)12-5-4-8-14(9-12)22-11-21(10-20-15(22)23)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11H2,(H,20,23)