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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C18H25FN4OS MolecularWeight: 364.480703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2F

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2F

InChI

InChI=1S/C18H25FN4OS/c1-4-5-6-9-13(2)20-16(24)12-25-18-22-21-17(23(18)3)14-10-7-8-11-15(14)19/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,24)