2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium

Systemtic Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylammonium Formula: C14H15F3N3OS+ MolecularWeight: 330.34861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F

InChI

InChI=1S/C14H14F3N3OS/c1-21-10-4-2-3-9(7-10)11-8-12(14(15,16)17)20-13(19-11)22-6-5-18/h2-4,7-8H,5-6,18H2,1H3/p+1