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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C13H11Cl2N5OS MolecularWeight: 356.23034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H11Cl2N5OS/c1-2-5-17-11(21)7-22-13-19-18-12(20(13)16)9-4-3-8(14)6-10(9)15/h1,3-4,6H,5,7,16H2,(H,17,21)