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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

C#CCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H19FN4OS/c1-2-13-23-19(27)15-28-21-25-24-20(17-10-6-7-11-18(17)22)26(21)14-12-16-8-4-3-5-9-16/h1,3-11H,12-15H2,(H,23,27)