1-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-furylmethylsulfanyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-furanylmethylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-furfurylthio)ethyl]triazole-4-carboxylic acid Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CSCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C10H11N3O3S/c14-10(15)9-6-13(12-11-9)3-5-17-7-8-2-1-4-16-8/h1-2,4,6H,3,5,7H2,(H,14,15)