2-[bis[[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl]methylidene]propanedinitrile

Systemtic Name: 2-[bis[[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl]methylidene]propanedinitrile Openeye Name: 2-[bis[[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl]methylene]propanedinitrile CAS Name: 2-[bis[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]methylidene]propanedinitrile IUPAC Name: 2-[bis[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl]methylidene]propanedinitrile Traditional Name: 2-[bis[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]methylene]malononitrile Formula: C22H14N2O6S2 MolecularWeight: 466.48636

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC(=C(C#N)C#N)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC(=C(C#N)C#N)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H14N2O6S2/c23-7-15(8-24)22(31-9-16(25)13-1-3-18-20(5-13)29-11-27-18)32-10-17(26)14-2-4-19-21(6-14)30-12-28-19/h1-6H,9-12H2