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

Systemtic Name: 3-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methyl]-5-methyl-imidazole-4-carbonitrile Openeye Name: 3-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-5-methyl-imidazole-4-carbonitrile CAS Name: 3-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-5-methyl-4-imidazolecarbonitrile IUPAC Name: 3-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-5-methylimidazole-4-carbonitrile Traditional Name: 3-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]methyl]-5-methyl-imidazole-4-carbonitrile Formula: C20H19IN4OS MolecularWeight: 490.36053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=C3C#N)C)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3C=NC(=C3C#N)C)C)I)C

InChI

InChI=1S/C20H19IN4OS/c1-11-5-12(2)7-15(6-11)27-19-16(13(3)24-20(26)18(19)21)9-25-10-23-14(4)17(25)8-22/h5-7,10H,9H2,1-4H3,(H,24,26)