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

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C17H18FN4OS+ MolecularWeight: 345.414423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC[NH3+])COC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC[NH3+])COC3=CC=CC=C3F

InChI

InChI=1S/C17H17FN4OS/c18-14-8-4-5-9-15(14)23-12-16-20-21-17(24-11-10-19)22(16)13-6-2-1-3-7-13/h1-9H,10-12,19H2/p+1