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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]acetonitrile Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)SCC#N

InChI

InChI=1S/C12H9N3O3S/c13-3-4-19-12-15-14-11(18-12)6-8-1-2-9-10(5-8)17-7-16-9/h1-2,5H,4,6-7H2