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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C#N)SC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H9N3O3S/c1-7(5-13)19-12-15-14-11(18-12)8-2-3-9-10(4-8)17-6-16-9/h2-4,7H,6H2,1H3