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

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]butyronitrile Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCCC#N

InChI

InChI=1S/C13H11N3O3S/c14-5-1-2-6-20-13-16-15-12(19-13)9-3-4-10-11(7-9)18-8-17-10/h3-4,7H,1-2,6,8H2