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

Systemtic Name: methyl 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylate Openeye Name: methyl 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylate CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-[(methylthio)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-6-(methylsulfanylmethyl)pyridine-3-carboxylate Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-6-[(methylthio)methyl]nicotinic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-9(2)16(3)15(21)18-13(19-16)12-11(14(20)22-4)7-6-10(17-12)8-23-5/h6-7,9H,8H2,1-5H3,(H,18,19,21)