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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21FN4OS MolecularWeight: 336.427543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN4OS/c1-4-13(5-2)18-14(22)10-23-16-20-19-15(21(16)3)11-6-8-12(17)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,18,22)