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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCC#N

InChI

InChI=1S/C10H9N5S/c11-6-7-16-10-12-13-14-15(10)8-9-4-2-1-3-5-9/h1-5H,7-8H2