1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C11H10FN3OS MolecularWeight: 251.280003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

Isomeric SMILES

CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2F

InChI

InChI=1S/C11H10FN3OS/c1-7(16)6-17-11-13-10(14-15-11)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,14,15)