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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4OS/c1-2-3-4-5-9-18-15(22)11-23-16-20-19-12-21(16)14-8-6-7-13(17)10-14/h6-8,10,12H,2-5,9,11H2,1H3,(H,18,22)