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

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C15H21BrN4OS2 MolecularWeight: 417.38744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C)C2=CC(=CS2)Br

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C)C2=CC(=CS2)Br

InChI

InChI=1S/C15H21BrN4OS2/c1-3-4-5-6-7-17-13(21)10-23-15-19-18-14(20(15)2)12-8-11(16)9-22-12/h8-9H,3-7,10H2,1-2H3,(H,17,21)