4-[(2S,3R,4S,5S)-4-azanyl-3,5-bis(oxidanyl)thian-2-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[(2S,3R,4S,5S)-4-azanyl-3,5-bis(oxidanyl)thian-2-yl]sulfanylbenzenecarbonitrile Openeye Name: 4-[(2S,3R,4S,5S)-4-amino-3,5-dihydroxy-tetrahydrothiopyran-2-yl]sulfanylbenzonitrile CAS Name: 4-[[(2S,3R,4S,5S)-4-amino-3,5-dihydroxy-2-thianyl]thio]benzonitrile IUPAC Name: 4-[(2S,3R,4S,5S)-4-amino-3,5-dihydroxythian-2-yl]sulfanylbenzonitrile Traditional Name: 4-[[(2S,3R,4S,5S)-4-amino-3,5-dihydroxy-tetrahydrothiopyran-2-yl]thio]benzonitrile Formula: C12H14N2O2S2 MolecularWeight: 282.38176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](S1)SC2=CC=C(C=C2)C#N)O)N)O

InChI

InChI=1S/C12H14N2O2S2/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(14)9(15)6-17-12/h1-4,9-12,15-16H,6,14H2/t9-,10+,11-,12+/m1/s1