3-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(4-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-(4-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C17H10BrNO3S2 MolecularWeight: 420.3002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)Br)/SC2=S)C(=O)O

InChI

InChI=1S/C17H10BrNO3S2/c18-12-6-4-10(5-7-12)8-14-15(20)19(17(23)24-14)13-3-1-2-11(9-13)16(21)22/h1-9H,(H,21,22)/b14-8+