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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

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