2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2,6-diethylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2,6-diethylphenyl)imidazol-2-yl]thio]acetic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C15H18N2O2S/c1-3-11-6-5-7-12(4-2)14(11)17-9-8-16-15(17)20-10-13(18)19/h5-9H,3-4,10H2,1-2H3,(H,18,19)