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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-propargyl-acetamide Formula: C13H11ClN4OS MolecularWeight: 306.77064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN4OS/c1-2-7-15-11(19)8-18-12(16-17-13(18)20)9-3-5-10(14)6-4-9/h1,3-6H,7-8H2,(H,15,19)(H,17,20)