2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetonitrile Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC#N

InChI

InChI=1S/C13H13N3O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12-15-16-13(20-12)21-5-4-14/h6-7H,5H2,1-3H3