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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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