2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylic acid Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylic acid CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-[(methylthio)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylic acid Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-6-[(methylthio)methyl]nicotinic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC(=N2)CSC)C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC(=N2)CSC)C(=O)O)C

InChI

InChI=1S/C15H19N3O3S/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)6-5-9(16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)