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

Systemtic Name: 4-[[4-azanyl-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(4-fluorobenzyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C17H14FN4O2S- MolecularWeight: 357.382063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-])F

InChI

InChI=1S/C17H15FN4O2S/c18-14-7-3-11(4-8-14)9-15-20-21-17(22(15)19)25-10-12-1-5-13(6-2-12)16(23)24/h1-8H,9-10,19H2,(H,23,24)/p-1