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

Systemtic Name: 2-bromanyl-4-nitro-6-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 2-[(E)-(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-bromo-4-nitro-phenolate CAS Name: 2-bromo-4-nitro-6-[(E)-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[(E)-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-bromo-4-nitro-phenolate Formula: C17H10BrN2O4S2- MolecularWeight: 450.3063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C17H11BrN2O4S2/c18-13-8-12(20(23)24)6-11(15(13)21)7-14-16(22)19(17(25)26-14)9-10-4-2-1-3-5-10/h1-8,21H,9H2/p-1/b14-7+