4-(6-oxidanylhexylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(6-oxidanylhexylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-(6-hydroxyhexylsulfanyl)phthalonitrile CAS Name: 4-(6-hydroxyhexylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4-(6-hydroxyhexylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 4-(6-hydroxyhexylthio)phthalonitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCCCCCO)C#N)C#N

Isomeric SMILES

C1=CC(=C(C=C1SCCCCCCO)C#N)C#N

InChI

InChI=1S/C14H16N2OS/c15-10-12-5-6-14(9-13(12)11-16)18-8-4-2-1-3-7-17/h5-6,9,17H,1-4,7-8H2