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

Systemtic Name: 4-[4,5-bis(oxidanyl)-2-sulfanyl-thian-3-yl]oxy-3-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 3-benzoyl-4-(4,5-dihydroxy-2-sulfanyl-tetrahydrothiopyran-3-yl)oxy-benzonitrile CAS Name: 3-benzoyl-4-[(4,5-dihydroxy-2-mercapto-3-thianyl)oxy]benzonitrile IUPAC Name: 3-benzoyl-4-(4,5-dihydroxy-2-sulfanylthian-3-yl)oxybenzonitrile Traditional Name: 3-benzoyl-4-(4,5-dihydroxy-2-mercapto-tetrahydrothiopyran-3-yl)oxy-benzonitrile Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S2/c20-9-11-6-7-15(24-18-17(23)14(21)10-26-19(18)25)13(8-11)16(22)12-4-2-1-3-5-12/h1-8,14,17-19,21,23,25H,10H2