[4,5-diacetyloxy-6-(2,4,5-tricyanophenyl)sulfanyl-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(2,4,5-tricyanophenyl)sulfanyl-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(2,4,5-tricyanophenyl)sulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(2,4,5-tricyanophenyl)thio]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-(2,4,5-tricyanophenyl)sulfanylthian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[(2,4,5-tricyanophenyl)thio]tetrahydrothiopyran-3-yl] ester Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC2=C(C=C(C(=C2)C#N)C#N)C#N

Isomeric SMILES

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC2=C(C=C(C(=C2)C#N)C#N)C#N

InChI

InChI=1S/C20H17N3O6S2/c1-10(24)27-16-9-30-20(19(29-12(3)26)18(16)28-11(2)25)31-17-5-14(7-22)13(6-21)4-15(17)8-23/h4-5,16,18-20H,9H2,1-3H3