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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H23FN4OS MolecularWeight: 410.507623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4OS/c23-19-11-5-4-10-18(19)21-24-25-22(29-16-20(28)26-13-6-7-14-26)27(21)15-12-17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2