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

Systemtic Name: 2-[5-bromanyl-2-ethoxy-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)-5-bromo-2-ethoxy-phenoxy]acetonitrile CAS Name: 2-[4-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxyphenoxy]acetonitrile Traditional Name: 2-[4-(5-benzoyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxy-phenoxy]acetonitrile Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br)OCC#N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)Br)OCC#N

InChI

InChI=1S/C27H22BrN3O3S/c1-2-33-21-15-19(20(28)16-22(21)34-14-13-29)25-23(26(32)18-11-7-4-8-12-18)24(30-27(35)31-25)17-9-5-3-6-10-17/h3-12,15-16,25H,2,14H2,1H3,(H2,30,31,35)