4-[(E)-[3-(4-bromanyl-3-chloranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-[3-(4-bromanyl-3-chloranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-[3-(4-bromo-3-chloro-phenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-[3-(4-bromo-3-chlorophenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-[3-(4-bromo-3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-[3-(4-bromo-3-chloro-phenyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H9BrClN2O5S2- MolecularWeight: 500.75076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrClN2O5S2/c1-26-13-5-8(4-12(15(13)22)21(24)25)6-14-16(23)20(17(27)28-14)9-2-3-10(18)11(19)7-9/h2-7,22H,1H3/p-1/b14-6+