2-[1-(2-methylpropyl)-5-phenyl-imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-methylpropyl)-5-phenyl-imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-(1-isobutyl-5-phenyl-imidazol-2-yl)sulfanylacetic acid CAS Name: 2-[[1-(2-methylpropyl)-5-phenyl-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-methylpropyl)-5-phenylimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-isobutyl-5-phenyl-imidazol-2-yl)thio]acetic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=CN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-11(2)9-17-13(12-6-4-3-5-7-12)8-16-15(17)20-10-14(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19)