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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

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