4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxy-2-(hydroxymethyl)-3-phenyl-benzenecarbonitrile

Systemtic Name: 4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxy-2-(hydroxymethyl)-3-phenyl-benzenecarbonitrile Openeye Name: 4-(4,5-dihydroxy-2-sulfanyl-tetrahydrothiopyran-3-yl)oxy-2-(hydroxymethyl)-3-phenyl-benzonitrile CAS Name: 4-[(4,5-dihydroxy-2-mercapto-3-thianyl)oxy]-2-(hydroxymethyl)-3-phenylbenzonitrile IUPAC Name: 4-(4,5-dihydroxy-2-sulfanylthian-3-yl)oxy-2-(hydroxymethyl)-3-phenylbenzonitrile Traditional Name: 4-(4,5-dihydroxy-2-mercapto-tetrahydrothiopyran-3-yl)oxy-2-methylol-3-phenyl-benzonitrile Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)S)OC2=C(C(=C(C=C2)C#N)CO)C3=CC=CC=C3)O)O

Isomeric SMILES

C1C(C(C(C(S1)S)OC2=C(C(=C(C=C2)C#N)CO)C3=CC=CC=C3)O)O

InChI

InChI=1S/C19H19NO4S2/c20-8-12-6-7-15(24-18-17(23)14(22)10-26-19(18)25)16(13(12)9-21)11-4-2-1-3-5-11/h1-7,14,17-19,21-23,25H,9-10H2