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

Systemtic Name: 3-[[4-azanyl-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-amino-5-(4-fluorobenzyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C12H17FN5S+ MolecularWeight: 282.360283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCCC[NH3+])F

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCCC[NH3+])F

InChI

InChI=1S/C12H16FN5S/c13-10-4-2-9(3-5-10)8-11-16-17-12(18(11)15)19-7-1-6-14/h2-5H,1,6-8,14-15H2/p+1