3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoic acid Openeye Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoic acid CAS Name: 3-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzoic acid IUPAC Name: 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoic acid Traditional Name: 3-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzoic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NC=NN2)C(=O)O

InChI

InChI=1S/C11H11N3O3S/c15-10(16)8-2-1-3-9(6-8)17-4-5-18-11-12-7-13-14-11/h1-3,6-7H,4-5H2,(H,15,16)(H,12,13,14)