6-azanyl-5-diethoxyphosphoryl-1-(4-ethanoylphenyl)-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-5-diethoxyphosphoryl-1-(4-ethanoylphenyl)-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 1-(4-acetylphenyl)-6-amino-5-diethoxyphosphoryl-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 1-(4-acetylphenyl)-6-amino-5-diethoxyphosphoryl-4-(methylthio)-2-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-(4-acetylphenyl)-6-amino-5-diethoxyphosphoryl-4-methylsulfanyl-2-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 1-(4-acetylphenyl)-6-amino-5-diethoxyphosphoryl-4-(methylthio)-2-phenyl-pyridin-1-ium-3-carbonitrile Formula: C25H27N3O4PS+ MolecularWeight: 496.538341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C([N+](=C(C(=C1SC)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C)N)OCC

Isomeric SMILES

CCOP(=O)(C1=C([N+](=C(C(=C1SC)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C)N)OCC

InChI

InChI=1S/C25H26N3O4PS/c1-5-31-33(30,32-6-2)23-24(34-4)21(16-26)22(19-10-8-7-9-11-19)28(25(23)27)20-14-12-18(13-15-20)17(3)29/h7-15,27H,5-6H2,1-4H3/p+1