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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-ethoxy-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-ethoxy-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-ethoxyacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-ethoxyacetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-ethoxy-acetamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O2S/c1-2-19-16-10(18)7-17-11(14-15-12(17)20)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,15,20)(H,16,18)