2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium

Systemtic Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylammonium Formula: C15H17F3N3S+ MolecularWeight: 328.37579

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F

InChI

InChI=1S/C15H16F3N3S/c1-2-10-3-5-11(6-4-10)12-9-13(15(16,17)18)21-14(20-12)22-8-7-19/h3-6,9H,2,7-8,19H2,1H3/p+1