3-[[5-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[5-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-(4-chloro-3-sulfamoyl-phenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-(4-chloro-3-sulfamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-(4-chloro-3-sulfamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(4-chloro-3-sulfamoyl-phenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C16H13ClN4O4S2 MolecularWeight: 424.88182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H13ClN4O4S2/c1-21-16(19-11-4-2-3-10(7-11)15(22)23)26-14(20-21)9-5-6-12(17)13(8-9)27(18,24)25/h2-8H,1H3,(H,22,23)(H2,18,24,25)