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

Systemtic Name: 2-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(4-fluorophenyl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(4-fluorophenyl)tetrazol-5-yl]thio]acetonitrile Formula: C9H6FN5S MolecularWeight: 235.240843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=N2)SCC#N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=N2)SCC#N)F

InChI

InChI=1S/C9H6FN5S/c10-7-1-3-8(4-2-7)15-9(12-13-14-15)16-6-5-11/h1-4H,6H2