(E)-3-(9-methyl-4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(9-methyl-4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(9-methyl-4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-keto-9-methyl-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-tosyl-acrylonitrile Formula: C25H20N3O4S+ MolecularWeight: 458.509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(NC3=C(C=CC=[N+]3C2=O)C)OC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(NC3=C(C=CC=[N+]3C2=O)C)OC4=CC=CC=C4)/C#N

InChI

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