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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C16H22ClN5OS MolecularWeight: 367.89678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN5OS/c1-2-3-4-5-10-19-14(23)11-24-16-21-20-15(22(16)18)12-6-8-13(17)9-7-12/h6-9H,2-5,10-11,18H2,1H3,(H,19,23)