2-[3-(2-methylpropyl)-2-methylsulfanyl-imidazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(2-methylpropyl)-2-methylsulfanyl-imidazol-4-yl]benzoic acid Openeye Name: 2-(3-isobutyl-2-methylsulfanyl-imidazol-4-yl)benzoic acid CAS Name: 2-[3-(2-methylpropyl)-2-(methylthio)-4-imidazolyl]benzoic acid IUPAC Name: 2-[3-(2-methylpropyl)-2-methylsulfanylimidazol-4-yl]benzoic acid Traditional Name: 2-[3-isobutyl-2-(methylthio)imidazol-4-yl]benzoic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SC)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CN1C(=CN=C1SC)C2=CC=CC=C2C(=O)O

InChI

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