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

Systemtic Name: 3-[9-methyl-2-(2-methylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-keto-9-methyl-2-(2-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

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