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

Systemtic Name: S-[(2Z)-5-methylsulfanyl-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiol-4-yl] benzenecarbothioate Openeye Name: S-[(2Z)-5-methylsulfanyl-2-[(5-nitro-2-furyl)methylene]-1,3-dithiol-4-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2Z)-5-(methylthio)-2-[(5-nitro-2-furanyl)methylidene]-1,3-dithiol-4-yl] ester IUPAC Name: S-[(2Z)-5-methylsulfanyl-2-[(5-nitrofuran-2-yl)methylidene]-1,3-dithiol-4-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2Z)-5-(methylthio)-2-[(5-nitro-2-furyl)methylene]-1,3-dithiol-4-yl] ester Formula: C16H11NO4S4 MolecularWeight: 409.52284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC(=CC2=CC=C(O2)[N+](=O)[O-])S1)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(S/C(=C\C2=CC=C(O2)[N+](=O)[O-])/S1)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11NO4S4/c1-22-15-16(25-14(18)10-5-3-2-4-6-10)24-13(23-15)9-11-7-8-12(21-11)17(19)20/h2-9H,1H3/b13-9-