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

Systemtic Name: 2-[2-iodanyl-6-methoxy-4-[6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-iodo-6-methoxy-phenoxy]acetonitrile Formula: C26H20IN3O3S MolecularWeight: 581.42477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)I)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)I)OCC#N

InChI

InChI=1S/C26H20IN3O3S/c1-32-20-15-18(14-19(27)25(20)33-13-12-28)23-21(24(31)17-10-6-3-7-11-17)22(29-26(34)30-23)16-8-4-2-5-9-16/h2-11,14-15,23H,13H2,1H3,(H2,29,30,34)