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

Systemtic Name: 3-[2-(2-methylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-(2-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-(2-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-keto-2-(2-methylphenoxy)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)OC4=CC=CC=C4C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4C)C#N

InChI

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