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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NN=C2SCC#N)C3=CN=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NN=C2SCC#N)C3=CN=CC=C3)F

InChI

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