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

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]acetonitrile Formula: C10H7N5O2S MolecularWeight: 261.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC#N

InChI

InChI=1S/C10H7N5O2S/c11-3-4-18-10-12-13-14-15(10)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,4,6H2