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

Systemtic Name: 2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(3-acetylphenyl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(3-acetylphenyl)tetrazol-5-yl]thio]acetonitrile Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC#N

InChI

InChI=1S/C11H9N5OS/c1-8(17)9-3-2-4-10(7-9)16-11(13-14-15-16)18-6-5-12/h2-4,7H,6H2,1H3