4-fluoranyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-fluoro-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzonitrile CAS Name: 4-fluoro-3-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]benzonitrile IUPAC Name: 4-fluoro-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzonitrile Traditional Name: 4-fluoro-3-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]benzonitrile Formula: C13H8FN5S MolecularWeight: 285.299523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=NC(=N2)SCC3=C(C=CC(=C3)C#N)F)N=C1

Isomeric SMILES

C1=CN2C(=NC(=N2)SCC3=C(C=CC(=C3)C#N)F)N=C1

InChI

InChI=1S/C13H8FN5S/c14-11-3-2-9(7-15)6-10(11)8-20-13-17-12-16-4-1-5-19(12)18-13/h1-6H,8H2