3-[bromanyl-(4-nitrophenyl)sulfanyl-methyl]pyridine; triphenylphosphanium

Systemtic Name: 3-[bromanyl-(4-nitrophenyl)sulfanyl-methyl]pyridine; triphenylphosphanium Openeye Name: 3-[bromo-(4-nitrophenyl)sulfanyl-methyl]pyridine; triphenylphosphonium CAS Name: 3-[bromo-[(4-nitrophenyl)thio]methyl]pyridine; triphenylphosphonium IUPAC Name: 3-[bromo-(4-nitrophenyl)sulfanylmethyl]pyridine; triphenylphosphanium Traditional Name: 3-[bromo-[(4-nitrophenyl)thio]methyl]pyridine; triphenylphosphonium Formula: C30H25BrN2O2PS+ MolecularWeight: 588.474461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CN=C1)C(SC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CN=C1)C(SC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15P.C12H9BrN2O2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(9-2-1-7-14-8-9)18-11-5-3-10(4-6-11)15(16)17/h1-15H;1-8,12H/p+1