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

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]butyronitrile Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c15-5-1-2-6-21-14-17-16-13(20-14)8-10-3-4-11-12(7-10)19-9-18-11/h3-4,7H,1-2,6,8-9H2