2-methoxy-6-nitro-4-[(Z)-[4-oxidanylidene-3-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxidanylidene-3-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxo-3-(pyridin-1-ium-3-ylmethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxo-3-(3-pyridin-1-iumylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxo-3-(pyridin-1-ium-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Traditional Name: 4-[(Z)-[4-keto-3-(pyridin-1-ium-3-ylmethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H13N3O5S2 MolecularWeight: 403.43222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CC3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C17H13N3O5S2/c1-25-13-6-11(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)9-10-3-2-4-18-8-10/h2-8,21H,9H2,1H3/b14-7-