4-[[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylphenyl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4,5-trihydroxythian-2-yl)sulfanylphenyl]methyl]benzonitrile Traditional Name: 4-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]benzyl]benzonitrile Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)CC3=CC=C(C=C3)C#N)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=C(C=C2)CC3=CC=C(C=C3)C#N)O)O)O

InChI

InChI=1S/C19H19NO3S2/c20-10-14-3-1-12(2-4-14)9-13-5-7-15(8-6-13)25-19-18(23)17(22)16(21)11-24-19/h1-8,16-19,21-23H,9,11H2