3-[2-(4-bromanylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[2-(4-bromanylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-(4-bromophenoxy)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-(4-bromophenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-(4-bromophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(4-bromophenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-tosyl-acrylonitrile Formula: C25H18BrN3O4S MolecularWeight: 536.39712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C25H18BrN3O4S/c1-16-5-11-20(12-6-16)34(31,32)21(15-27)14-22-24(33-19-9-7-18(26)8-10-19)28-23-17(2)4-3-13-29(23)25(22)30/h3-14H,1-2H3