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

Systemtic Name: 2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C16H17FN4OS MolecularWeight: 332.395783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=N2)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NNC(=N2)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4OS/c17-13-6-3-12(4-7-13)5-8-14-18-16(20-19-14)23-11-15(22)21-9-1-2-10-21/h3-8H,1-2,9-11H2,(H,18,19,20)/b8-5+