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

Systemtic Name: 3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-(4-fluorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]propylammonium Formula: C13H18FN4S+ MolecularWeight: 281.372223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC[NH3+])CC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCCC[NH3+])CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H17FN4S/c1-18-12(9-10-3-5-11(14)6-4-10)16-17-13(18)19-8-2-7-15/h3-6H,2,7-9,15H2,1H3/p+1