2-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Openeye Name: 4-[(Z)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 2-nitro-4-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Traditional Name: 4-[(Z)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C13H9N2O4S2- MolecularWeight: 321.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C13H10N2O4S2/c1-2-5-14-12(17)11(21-13(14)20)7-8-3-4-10(16)9(6-8)15(18)19/h2-4,6-7,16H,1,5H2/p-1/b11-7-