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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H10FN5S MolecularWeight: 311.336803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCC#N)C3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCC#N)C3=CC=NC=C3)F

InChI

InChI=1S/C15H10FN5S/c16-12-1-3-13(4-2-12)21-14(11-5-8-18-9-6-11)19-20-15(21)22-10-7-17/h1-6,8-9H,10H2