4-(3,5-dimethylphenyl)sulfanyl-5-[[5-[(E)-hydroxyiminomethyl]-4-methyl-imidazol-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanyl-5-[[5-[(E)-hydroxyiminomethyl]-4-methyl-imidazol-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one Openeye Name: (4E)-3-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-5-methyl-imidazole-4-carbaldehyde oxime CAS Name: (4E)-3-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-5-methyl-4-imidazolecarboxaldehyde oxime IUPAC Name: 4-(3,5-dimethylphenyl)sulfanyl-5-[[5-[(E)-hydroxyiminomethyl]-4-methylimidazol-1-yl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one Traditional Name: (4E)-3-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]methyl]-5-methyl-imidazole-4-carbaldehyde oxime Formula: C20H21IN4O2S MolecularWeight: 508.37581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=C3C=NO)C)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=C3/C=N/O)C)C)I)C

InChI

InChI=1S/C20H21IN4O2S/c1-11-5-12(2)7-15(6-11)28-19-16(13(3)24-20(26)18(19)21)9-25-10-22-14(4)17(25)8-23-27/h5-8,10,27H,9H2,1-4H3,(H,24,26)/b23-8+