4-chloranyl-3-(1H-1,2,4-triazol-5-ylcarbonylamino)benzenesulfonate

Systemtic Name: 4-chloranyl-3-(1H-1,2,4-triazol-5-ylcarbonylamino)benzenesulfonate Openeye Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)benzenesulfonate CAS Name: 4-chloro-3-[[oxo(1H-1,2,4-triazol-5-yl)methyl]amino]benzenesulfonate IUPAC Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)benzenesulfonate Traditional Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)besylate Formula: C9H6ClN4O4S- MolecularWeight: 301.68634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)C2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)C2=NC=NN2)Cl

InChI

InChI=1S/C9H7ClN4O4S/c10-6-2-1-5(19(16,17)18)3-7(6)13-9(15)8-11-4-12-14-8/h1-4H,(H,13,15)(H,11,12,14)(H,16,17,18)/p-1