4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoate

Systemtic Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoate Openeye Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoate CAS Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzoate IUPAC Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]benzoate Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzoate Formula: C11H10N3O3S- MolecularWeight: 264.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NC=NN2

InChI

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