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

Systemtic Name: 4-[4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylphenyl]benzenecarbonitrile Openeye Name: 4-[4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylphenyl]benzonitrile CAS Name: 4-[4-[(3,4,5-trihydroxy-2-thianyl)thio]phenyl]benzonitrile IUPAC Name: 4-[4-(3,4,5-trihydroxythian-2-yl)sulfanylphenyl]benzonitrile Traditional Name: 4-[4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]phenyl]benzonitrile Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S2/c19-9-11-1-3-12(4-2-11)13-5-7-14(8-6-13)24-18-17(22)16(21)15(20)10-23-18/h1-8,15-18,20-22H,10H2