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

Systemtic Name: 2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]acetonitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5S/c1-8-5-9(2)7-10(6-8)16-11(13-14-15-16)17-4-3-12/h5-7H,4H2,1-2H3