S-[5-(2-phenylethanoylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl] 2-phenylethanethioate

Systemtic Name: S-[5-(2-phenylethanoylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl] 2-phenylethanethioate Openeye Name: S-[5-(2-phenylacetyl)sulfanyl-2-thioxo-1,3-dithiol-4-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[5-[(1-oxo-2-phenylethyl)thio]-2-sulfanylidene-1,3-dithiol-4-yl] ester IUPAC Name: S-[5-(2-phenylacetyl)sulfanyl-2-sulfanylidene-1,3-dithiol-4-yl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[5-[(2-phenylacetyl)thio]-2-thioxo-1,3-dithiol-4-yl] ester Formula: C19H14O2S5 MolecularWeight: 434.63826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=C(SC(=S)S2)SC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=C(SC(=S)S2)SC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H14O2S5/c20-15(11-13-7-3-1-4-8-13)23-17-18(26-19(22)25-17)24-16(21)12-14-9-5-2-6-10-14/h1-10H,11-12H2