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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylacetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-acetamide Formula: C19H27ClN4OS MolecularWeight: 394.96188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4OS/c1-2-3-4-5-6-7-8-13-21-17(25)14-24-18(22-23-19(24)26)15-9-11-16(20)12-10-15/h9-12H,2-8,13-14H2,1H3,(H,21,25)(H,23,26)