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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-(4-tert-butylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-(4-tert-butylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-(4-tert-butylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(4-tert-butylphenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-tosyl-acrylonitrile Formula: C28H25N3O4S MolecularWeight: 499.5808

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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=C(C=C4)C(C)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4S/c1-19-8-14-22(15-9-19)36(33,34)23(18-29)17-24-26(30-25-7-5-6-16-31(25)27(24)32)35-21-12-10-20(11-13-21)28(2,3)4/h5-17H,1-4H3