6-azanyl-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-(methylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-methylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-1-(4-bromophenyl)-2-tert-butyl-5-[ethoxy(phenyl)phosphoryl]-4-(methylthio)pyridin-1-ium-3-carbonitrile Formula: C25H28BrN3O2PS+ MolecularWeight: 545.451481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1)C2=C([N+](=C(C(=C2SC)C#N)C(C)(C)C)C3=CC=C(C=C3)Br)N

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1)C2=C([N+](=C(C(=C2SC)C#N)C(C)(C)C)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C25H27BrN3O2PS/c1-6-31-32(30,19-10-8-7-9-11-19)21-22(33-5)20(16-27)23(25(2,3)4)29(24(21)28)18-14-12-17(26)13-15-18/h7-15,28H,6H2,1-5H3/p+1