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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)CC

InChI

InChI=1S/C18H26N4OS/c1-3-5-6-7-12-19-16(23)13-24-18-20-17(21-22-18)15-10-8-14(4-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,19,23)(H,20,21,22)