6-azanyl-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-di(propan-2-yloxy)phosphoryl-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-di(propan-2-yloxy)phosphoryl-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-diisopropoxyphosphoryl-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-di(propan-2-yloxy)phosphoryl-4-(methylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-di(propan-2-yloxy)phosphoryl-4-methylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-diisopropoxyphosphoryl-4-(methylthio)pyridin-1-ium-3-carbonitrile Formula: C25H27BrClN3O3PS+ MolecularWeight: 595.895941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrClN3O3PS/c1-15(2)32-34(31,33-16(3)4)23-24(35-5)21(14-28)22(17-6-10-19(27)11-7-17)30(25(23)29)20-12-8-18(26)9-13-20/h6-13,15-16,29H,1-5H3/p+1