2-[2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-[(5E)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]-4-nitro-phenolate Formula: C18H11BrN3O5S2- MolecularWeight: 493.33104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H12BrN3O5S2/c19-11-3-1-2-10(6-11)7-15-17(25)21(18(28)29-15)9-16(24)20-13-8-12(22(26)27)4-5-14(13)23/h1-8,23H,9H2,(H,20,24)/p-1/b15-7+