4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-fluoro-benzonitrile Formula: C17H14FN5S MolecularWeight: 339.389963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)F)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)C#N)F)C3=CC=NC=C3

InChI

InChI=1S/C17H14FN5S/c1-2-23-16(13-5-7-20-8-6-13)21-22-17(23)24-11-14-4-3-12(10-19)9-15(14)18/h3-9H,2,11H2,1H3