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

Systemtic Name: 2-[2,3-bis(bromanyl)-4-(5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-6-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2,3-dibromo-6-ethoxy-phenoxy]acetonitrile CAS Name: 2-[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2,3-dibromo-6-ethoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2,3-dibromo-6-ethoxyphenoxy]acetonitrile Traditional Name: 2-[4-(5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-2,3-dibromo-6-ethoxy-phenoxy]acetonitrile Formula: C17H17Br2N3O3S MolecularWeight: 503.20818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Br2N3O3S/c1-4-24-11-7-10(13(18)14(19)16(11)25-6-5-20)15-12(9(3)23)8(2)21-17(26)22-15/h7,15H,4,6H2,1-3H3,(H2,21,22,26)