2-[[5-methyl-4-(3-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-methyl-4-(3-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-isopropylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(3-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-(3-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-m-cumenyl-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-9(2)11-5-4-6-12(7-11)17-10(3)15-16-14(17)20-8-13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)/p-1