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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C27H20FN5OS MolecularWeight: 481.544003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C27H20FN5OS/c28-21-11-13-24(14-12-21)33-26(20-15-17-29-18-16-20)30-31-27(33)35-19-25(34)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H,19H2