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

Systemtic Name: 2-[4-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]methyl]morpholin-2-yl]ethanenitrile Openeye Name: 2-[4-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]morpholin-2-yl]acetonitrile CAS Name: 2-[4-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]-2-morpholinyl]acetonitrile IUPAC Name: 2-[4-[[4-(3,5-dimethylphenyl)sulfanyl-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]morpholin-2-yl]acetonitrile Traditional Name: 2-[4-[[4-[(3,5-dimethylphenyl)thio]-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]methyl]morpholin-2-yl]acetonitrile Formula: C21H24IN3O2S MolecularWeight: 509.40363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCOC(C3)CC#N)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCOC(C3)CC#N)C)I)C

InChI

InChI=1S/C21H24IN3O2S/c1-13-8-14(2)10-17(9-13)28-20-18(15(3)24-21(26)19(20)22)12-25-6-7-27-16(11-25)4-5-23/h8-10,16H,4,6-7,11-12H2,1-3H3,(H,24,26)