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

Systemtic Name: 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetonitrile Formula: C10H9N5S MolecularWeight: 231.27696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC#N

InChI

InChI=1S/C10H9N5S/c1-8-2-4-9(5-3-8)15-10(12-13-14-15)16-7-6-11/h2-5H,7H2,1H3