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

Systemtic Name: 4-chloranyl-3-(1H-1,2,4-triazol-5-ylcarbonylamino)benzenesulfonic acid Openeye Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)benzenesulfonic acid CAS Name: 4-chloro-3-[[oxo(1H-1,2,4-triazol-5-yl)methyl]amino]benzenesulfonic acid IUPAC Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)benzenesulfonic acid Traditional Name: 4-chloro-3-(1H-1,2,4-triazole-5-carbonylamino)besylic acid Formula: C9H7ClN4O4S MolecularWeight: 302.69428

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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)