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

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C19H25FN4OS MolecularWeight: 376.491403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H25FN4OS/c1-2-3-4-7-12-21-17(25)13-26-19-23-22-18(24(19)14-10-11-14)15-8-5-6-9-16(15)20/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,21,25)