2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C17H11N3O3S/c18-8-12-3-1-2-4-13(12)9-24-17-20-19-16(23-17)11-5-6-14-15(7-11)22-10-21-14/h1-7H,9-10H2