1-(2-methylpropyl)-2-methylsulfanyl-5-phenyl-imidazole-4-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-2-methylsulfanyl-5-phenyl-imidazole-4-carboxylic acid Openeye Name: 1-isobutyl-2-methylsulfanyl-5-phenyl-imidazole-4-carboxylic acid CAS Name: 1-(2-methylpropyl)-2-(methylthio)-5-phenyl-4-imidazolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)-2-methylsulfanyl-5-phenylimidazole-4-carboxylic acid Traditional Name: 1-isobutyl-2-(methylthio)-5-phenyl-imidazole-4-carboxylic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(N=C1SC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=C(N=C1SC)C(=O)O)C2=CC=CC=C2

InChI

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