2-bromanyl-4-nitro-6-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Openeye Name: 2-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-bromo-4-nitro-phenolate CAS Name: 2-bromo-4-nitro-6-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Traditional Name: 2-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-bromo-4-nitro-phenolate Formula: C13H8BrN2O4S2- MolecularWeight: 400.24762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN2O4S2/c1-2-3-15-12(18)10(22-13(15)21)5-7-4-8(16(19)20)6-9(14)11(7)17/h2,4-6,17H,1,3H2/p-1