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

Systemtic Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylammonium Formula: C13H11Cl2F3N3S+ MolecularWeight: 369.21275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=NC(=N2)SCC[NH3+])C(F)(F)F)Cl)Cl

InChI

InChI=1S/C13H10Cl2F3N3S/c14-8-2-1-7(5-9(8)15)10-6-11(13(16,17)18)21-12(20-10)22-4-3-19/h1-2,5-6H,3-4,19H2/p+1