2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-pentyl-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C15H19ClN4OS MolecularWeight: 338.85556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN4OS/c1-2-3-4-9-17-13(21)10-20-14(18-19-15(20)22)11-5-7-12(16)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,17,21)(H,19,22)