4-[[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid

Systemtic Name: 4-[[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid Openeye Name: 4-[[3-(4-nitrophenyl)-4-oxo-2-thioxo-thiazolidin-5-yl]methylamino]benzoic acid CAS Name: 4-[[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-5-thiazolidinyl]methylamino]benzoic acid IUPAC Name: 4-[[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoic acid Traditional Name: 4-[[4-keto-3-(4-nitrophenyl)-2-thioxo-thiazolidin-5-yl]methylamino]benzoic acid Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c21-15-14(9-18-11-3-1-10(2-4-11)16(22)23)27-17(26)19(15)12-5-7-13(8-6-12)20(24)25/h1-8,14,18H,9H2,(H,22,23)