2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[(5-cyano-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]-N-(3-iodophenyl)acetamide Formula: C14H11IN4O2S MolecularWeight: 426.23221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC(=CC=C2)I)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC(=CC=C2)I)C#N

InChI

InChI=1S/C14H11IN4O2S/c1-8-11(6-16)13(19-14(21)17-8)22-7-12(20)18-10-4-2-3-9(15)5-10/h2-5H,7H2,1H3,(H,18,20)(H,17,19,21)