2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-ethyl-4-indan-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-indan-5-yl-1,2,4-triazol-3-yl)thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC3=C(CCC3)C=C2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC3=C(CCC3)C=C2)SCC(=O)[O-]

InChI

InChI=1S/C15H17N3O2S/c1-2-13-16-17-15(21-9-14(19)20)18(13)12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,19,20)/p-1