2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methylbenzyl)imidazol-2-yl]thio]acetate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-10-2-4-11(5-3-10)8-15-7-6-14-13(15)18-9-12(16)17/h2-7H,8-9H2,1H3,(H,16,17)/p-1