3-[3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 3-[2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-propoxy]benzonitrile CAS Name: 3-[2-hydroxy-3-[(4-hydroxyphenyl)thio]propoxy]benzonitrile IUPAC Name: 3-[2-hydroxy-3-(4-hydroxyphenyl)sulfanylpropoxy]benzonitrile Traditional Name: 3-[2-hydroxy-3-[(4-hydroxyphenyl)thio]propoxy]benzonitrile Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CSC2=CC=C(C=C2)O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CSC2=CC=C(C=C2)O)O)C#N

InChI

InChI=1S/C16H15NO3S/c17-9-12-2-1-3-15(8-12)20-10-14(19)11-21-16-6-4-13(18)5-7-16/h1-8,14,18-19H,10-11H2