2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-9(2)10-3-5-11(6-4-10)16-8-14-15-13(16)19-7-12(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18)/p-1