2-[[4-azanyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C16H22FN5OS MolecularWeight: 351.442183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2F

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2F

InChI

InChI=1S/C16H22FN5OS/c1-2-3-4-7-10-19-14(23)11-24-16-21-20-15(22(16)18)12-8-5-6-9-13(12)17/h5-6,8-9H,2-4,7,10-11,18H2,1H3,(H,19,23)