[3-(2-cyanopropylsulfanyl)phenyl]methyl-triphenyl-phosphanium

Systemtic Name: [3-(2-cyanopropylsulfanyl)phenyl]methyl-triphenyl-phosphanium Openeye Name: [3-(2-cyanopropylsulfanyl)phenyl]methyl-triphenyl-phosphonium CAS Name: [3-(2-cyanopropylthio)phenyl]methyl-triphenylphosphonium IUPAC Name: [3-(2-cyanopropylsulfanyl)phenyl]methyl-triphenylphosphanium Traditional Name: [3-(2-cyanopropylthio)benzyl]-triphenyl-phosphonium Formula: C29H27NPS+ MolecularWeight: 452.570141

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(CSC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H27NPS/c1-24(21-30)23-32-29-19-11-12-25(20-29)22-31(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-20,24H,22-23H2,1H3/q+1