S-[2-[(4-nitrophenyl)methylidene]-5-(phenylcarbonylsulfanyl)-1,3-dithiol-4-yl] benzenecarbothioate

Systemtic Name: S-[2-[(4-nitrophenyl)methylidene]-5-(phenylcarbonylsulfanyl)-1,3-dithiol-4-yl] benzenecarbothioate Openeye Name: S-[5-benzoylsulfanyl-2-[(4-nitrophenyl)methylene]-1,3-dithiol-4-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-(benzoylthio)-2-[(4-nitrophenyl)methylidene]-1,3-dithiol-4-yl] ester IUPAC Name: S-[5-benzoylsulfanyl-2-[(4-nitrophenyl)methylidene]-1,3-dithiol-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-(benzoylthio)-2-(4-nitrobenzylidene)-1,3-dithiol-4-yl] ester Formula: C24H15NO4S4 MolecularWeight: 509.6402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C(SC(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=C(SC(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H15NO4S4/c26-21(17-7-3-1-4-8-17)32-23-24(33-22(27)18-9-5-2-6-10-18)31-20(30-23)15-16-11-13-19(14-12-16)25(28)29/h1-15H