2-[4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodanyl-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodanyl-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxy-phenoxy]acetonitrile Formula: C16H16IN3O3S MolecularWeight: 457.28601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC#N)OC)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC#N)OC)C(=O)C

InChI

InChI=1S/C16H16IN3O3S/c1-8-13(9(2)21)14(20-16(24)19-8)10-6-11(17)15(23-5-4-18)12(7-10)22-3/h6-7,14H,5H2,1-3H3,(H2,19,20,24)