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

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-indan-5-yl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-indan-5-yl-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H14N3O2S- MolecularWeight: 288.34486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC3=C(CCC3)C=C2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC3=C(CCC3)C=C2)SCC(=O)[O-]

InChI

InChI=1S/C14H15N3O2S/c1-9-15-16-14(20-8-13(18)19)17(9)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8H2,1H3,(H,18,19)/p-1