2-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]sulfanylethylazanium

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(4-bromophenyl)-6-(difluoromethyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]thio]ethylammonium Formula: C13H13BrF2N3S+ MolecularWeight: 361.228226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrF2N3S/c14-9-3-1-8(2-4-9)10-7-11(12(15)16)19-13(18-10)20-6-5-17/h1-4,7,12H,5-6,17H2/p+1