5-(pyridin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(pyridin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(3-pyridylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(3-pyridinylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(pyridin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(3-pyridylmethyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinan-5-ium-2-thione Formula: C16H16F3N4S+ MolecularWeight: 353.38525

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H15F3N4S/c17-16(18,19)13-4-1-5-14(7-13)23-11-22(10-21-15(23)24)9-12-3-2-6-20-8-12/h1-8H,9-11H2,(H,21,24)/p+1