4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid Openeye Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid CAS Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid IUPAC Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid Traditional Name: 4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylbenzoic acid Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C15H11N3O4S/c19-15(20)11-1-5-13(6-2-11)23(21,22)14-7-3-12(4-8-14)18-10-16-9-17-18/h1-10H,(H,19,20)