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

Systemtic Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-2-oxazolyl]thio]acetonitrile IUPAC Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)-1,3-oxazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4,5-bis(1,3-benzodioxol-5-yl)oxazol-2-yl]thio]acetonitrile Formula: C19H12N2O5S MolecularWeight: 380.37398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=N3)SCC#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=N3)SCC#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H12N2O5S/c20-5-6-27-19-21-17(11-1-3-13-15(7-11)24-9-22-13)18(26-19)12-2-4-14-16(8-12)25-10-23-14/h1-4,7-8H,6,9-10H2