1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-indan-5-ylsulfanylethyl)triazole-4-carboxylic acid CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(indan-5-ylthio)ethyl]triazole-4-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C14H15N3O2S/c18-14(19)13-9-17(16-15-13)6-7-20-12-5-4-10-2-1-3-11(10)8-12/h4-5,8-9H,1-3,6-7H2,(H,18,19)