(E)-3-(7-methyl-4-oxidanylidene-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-methyl-4-oxidanylidene-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methyl-4-oxo-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(7-methyl-4-oxo-2-phenoxy-3-pyrido[1,2-a]pyrimidinyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(7-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-keto-7-methyl-2-phenoxy-pyrido[1,2-a]pyrimidin-3-yl)-2-tosyl-acrylonitrile Formula: C25H19N3O4S MolecularWeight: 457.50106

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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=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)OC4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H19N3O4S/c1-17-8-11-20(12-9-17)33(30,31)21(15-26)14-22-24(32-19-6-4-3-5-7-19)27-23-13-10-18(2)16-28(23)25(22)29/h3-14,16H,1-2H3/b21-14+