2-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine

Systemtic Name: 2-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine Openeye Name: 2-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine CAS Name: 2-[5-(1,3-benzodioxol-5-ylmethylthio)-1,3,4-oxadiazol-2-yl]ethanamine IUPAC Name: 2-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine Traditional Name: 2-[5-(piperonylthio)-1,3,4-oxadiazol-2-yl]ethylamine Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(O3)CCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(O3)CCN

InChI

InChI=1S/C12H13N3O3S/c13-4-3-11-14-15-12(18-11)19-6-8-1-2-9-10(5-8)17-7-16-9/h1-2,5H,3-4,6-7,13H2