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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C26H25FN4OS MolecularWeight: 460.566303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN4OS/c27-23-14-8-7-13-22(23)25-29-30-26(31(25)18-16-21-11-5-2-6-12-21)33-19-24(32)28-17-15-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,32)