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

Systemtic Name: 4-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanylbenzenecarbonitrile Openeye Name: 4-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanylbenzonitrile CAS Name: 4-[(3,4,5-trihydroxy-2-thianyl)thio]benzonitrile IUPAC Name: 4-(3,4,5-trihydroxythian-2-yl)sulfanylbenzonitrile Traditional Name: 4-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]benzonitrile Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S2/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-4,9-12,14-16H,6H2