4,5-bis(3-oxidanylpropylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(3-oxidanylpropylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(3-hydroxypropylsulfanyl)phthalonitrile CAS Name: 4,5-bis(3-hydroxypropylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(3-hydroxypropylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(3-hydroxypropylthio)phthalonitrile Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SCCCO)SCCCO)C#N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1SCCCO)SCCCO)C#N)C#N

InChI

InChI=1S/C14H16N2O2S2/c15-9-11-7-13(19-5-1-3-17)14(8-12(11)10-16)20-6-2-4-18/h7-8,17-18H,1-6H2