1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethyl]triazole-4-carboxylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c17-13(18)10-8-16(15-14-10)3-6-21-9-1-2-11-12(7-9)20-5-4-19-11/h1-2,7-8H,3-6H2,(H,17,18)