4-[(2S,4R,5S)-4,5-bis(oxidanyl)thian-2-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[(2S,4R,5S)-4,5-bis(oxidanyl)thian-2-yl]sulfanylbenzenecarbonitrile Openeye Name: 4-[(2S,4R,5S)-4,5-dihydroxytetrahydrothiopyran-2-yl]sulfanylbenzonitrile CAS Name: 4-[[(2S,4R,5S)-4,5-dihydroxy-2-thianyl]thio]benzonitrile IUPAC Name: 4-[(2S,4R,5S)-4,5-dihydroxythian-2-yl]sulfanylbenzonitrile Traditional Name: 4-[[(2S,4R,5S)-4,5-dihydroxytetrahydrothiopyran-2-yl]thio]benzonitrile Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CSC1SC2=CC=C(C=C2)C#N)O)O

Isomeric SMILES

C1[C@H]([C@@H](CS[C@H]1SC2=CC=C(C=C2)C#N)O)O

InChI

InChI=1S/C12H13NO2S2/c13-6-8-1-3-9(4-2-8)17-12-5-10(14)11(15)7-16-12/h1-4,10-12,14-15H,5,7H2/t10-,11-,12+/m1/s1