6-azanyl-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-methylsulfanyl-2-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-(methylthio)-2-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-methylsulfanyl-2-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-1-(4-bromophenyl)-5-dimethoxyphosphoryl-4-(methylthio)-2-phenyl-pyridin-1-ium-3-carbonitrile Formula: C21H20BrN3O3PS+ MolecularWeight: 505.344561

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C1=C([N+](=C(C(=C1SC)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Br)N)OC

Isomeric SMILES

COP(=O)(C1=C([N+](=C(C(=C1SC)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Br)N)OC

InChI

InChI=1S/C21H19BrN3O3PS/c1-27-29(26,28-2)19-20(30-3)17(13-23)18(14-7-5-4-6-8-14)25(21(19)24)16-11-9-15(22)10-12-16/h4-12,24H,1-3H3/p+1