1-[[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methyl]imidazole-2-carbonitrile

Systemtic Name: 1-[[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methyl]imidazole-2-carbonitrile Openeye Name: 1-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]imidazole-2-carbonitrile CAS Name: 1-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-2-imidazolecarbonitrile IUPAC Name: 1-[[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]imidazole-2-carbonitrile Traditional Name: 1-[[4-(3,5-dimethylphenoxy)-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]methyl]imidazole-2-carbonitrile Formula: C19H17IN4O2 MolecularWeight: 460.26835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CN3C=CN=C3C#N)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CN3C=CN=C3C#N)C)I)C

InChI

InChI=1S/C19H17IN4O2/c1-11-6-12(2)8-14(7-11)26-18-15(13(3)23-19(25)17(18)20)10-24-5-4-22-16(24)9-21/h4-8H,10H2,1-3H3,(H,23,25)