2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-sulfanyl-ethanenitrile

Systemtic Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-sulfanyl-ethanenitrile Openeye Name: 2-[4,5-bis(3,4-dimethoxyphenyl)oxazol-2-yl]-2-sulfanyl-acetonitrile CAS Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-2-oxazolyl]-2-mercaptoacetonitrile IUPAC Name: 2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetonitrile Traditional Name: 2-[4,5-bis(3,4-dimethoxyphenyl)oxazol-2-yl]-2-mercapto-acetonitrile Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC(=N2)C(C#N)S)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC(=N2)C(C#N)S)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H20N2O5S/c1-24-14-7-5-12(9-16(14)26-3)19-20(28-21(23-19)18(29)11-22)13-6-8-15(25-2)17(10-13)27-4/h5-10,18,29H,1-4H3