2-(cyanomethyl)-4-triphenylphosphaniumyl-1,3-oxazole-5-thiolate

Systemtic Name: 2-(cyanomethyl)-4-triphenylphosphaniumyl-1,3-oxazole-5-thiolate Openeye Name: 2-(cyanomethyl)-4-triphenylphosphaniumyl-oxazole-5-thiolate CAS Name: 2-(cyanomethyl)-4-triphenylphosphiniumyl-5-oxazolethiolate IUPAC Name: 2-(cyanomethyl)-4-triphenylphosphaniumyl-1,3-oxazole-5-thiolate Traditional Name: 2-(cyanomethyl)-4-triphenylphosphiniumyl-oxazole-5-thiolate Formula: C23H17N2OPS MolecularWeight: 400.432641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(OC(=N4)CC#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(OC(=N4)CC#N)[S-]

InChI

InChI=1S/C23H17N2OPS/c24-17-16-21-25-22(23(28)26-21)27(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16H2