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

Systemtic Name: 3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[9-methyl-2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[9-methyl-2-(3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-keto-9-methyl-2-(3-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]-2-tosyl-acrylonitrile Formula: C26H21N3O4S MolecularWeight: 471.52764

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O4S/c1-17-9-11-21(12-10-17)34(31,32)22(16-27)15-23-25(33-20-8-4-6-18(2)14-20)28-24-19(3)7-5-13-29(24)26(23)30/h4-15H,1-3H3