2-[1-(4-tert-butylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(4-tert-butylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(4-tert-butylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-tert-butylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(4-tert-butylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-tert-butylphenyl)imidazol-2-yl]thio]acetate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-15(2,3)11-4-6-12(7-5-11)17-9-8-16-14(17)20-10-13(18)19/h4-9H,10H2,1-3H3,(H,18,19)/p-1