2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-(4-fluorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C12H16FN4S+ MolecularWeight: 267.345643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH3+])CC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCC[NH3+])CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H15FN4S/c1-17-11(15-16-12(17)18-7-6-14)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3/p+1