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

Systemtic Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H7FN4S MolecularWeight: 234.252783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC#N)F

InChI

InChI=1S/C10H7FN4S/c11-8-4-2-1-3-7(8)9-13-10(15-14-9)16-6-5-12/h1-4H,6H2,(H,13,14,15)