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

Systemtic Name: S-[2-[(5-nitrofuran-2-yl)methylidene]-5-(phenylcarbonylsulfanyl)-1,3-dithiol-4-yl] benzenecarbothioate Openeye Name: S-[5-benzoylsulfanyl-2-[(5-nitro-2-furyl)methylene]-1,3-dithiol-4-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-(benzoylthio)-2-[(5-nitro-2-furanyl)methylidene]-1,3-dithiol-4-yl] ester IUPAC Name: S-[5-benzoylsulfanyl-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiol-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-(benzoylthio)-2-[(5-nitro-2-furyl)methylene]-1,3-dithiol-4-yl] ester Formula: C22H13NO5S4 MolecularWeight: 499.60232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C(SC(=CC3=CC=C(O3)[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(O3)[N+](=O)[O-])S2)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H13NO5S4/c24-19(14-7-3-1-4-8-14)31-21-22(32-20(25)15-9-5-2-6-10-15)30-18(29-21)13-16-11-12-17(28-16)23(26)27/h1-13H