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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-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=NN=CN1C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)C

InChI

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