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

Systemtic Name: 2-[[4-azanyl-5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-indan-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-amino-5-indan-5-yl-1,2,4-triazol-3-yl)thio]acetate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c14-17-12(15-16-13(17)20-7-11(18)19)10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7,14H2,(H,18,19)/p-1