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

Systemtic Name: 6-azanyl-5-di(propan-2-yloxy)phosphoryl-1-(4-ethanoylphenyl)-2-(4-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 1-(4-acetylphenyl)-6-amino-5-diisopropoxyphosphoryl-2-(4-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 1-(4-acetylphenyl)-6-amino-5-di(propan-2-yloxy)phosphoryl-2-(4-fluorophenyl)-4-(methylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-(4-acetylphenyl)-6-amino-5-di(propan-2-yloxy)phosphoryl-2-(4-fluorophenyl)-4-methylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 1-(4-acetylphenyl)-6-amino-5-diisopropoxyphosphoryl-2-(4-fluorophenyl)-4-(methylthio)pyridin-1-ium-3-carbonitrile Formula: C27H30FN3O4PS+ MolecularWeight: 542.581964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN3O4PS/c1-16(2)34-36(33,35-17(3)4)25-26(37-6)23(15-29)24(20-7-11-21(28)12-8-20)31(27(25)30)22-13-9-19(10-14-22)18(5)32/h7-14,16-17,30H,1-6H3/p+1