(1E)-N-(2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-ethenyl)-2,2-dimethyl-propanimidate

Systemtic Name: (1E)-N-(2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-ethenyl)-2,2-dimethyl-propanimidate Openeye Name: (1E)-N-(2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-vinyl)-2,2-dimethyl-propanimidate CAS Name: (1E)-N-(2-cyano-1-mercapto-2-triphenylphosphiniumylethenyl)-2,2-dimethylpropanimidate IUPAC Name: (1E)-N-(2-cyano-1-sulfanyl-2-triphenylphosphaniumylethenyl)-2,2-dimethylpropanimidate Traditional Name: (1E)-N-(2-cyano-1-mercapto-2-triphenylphosphiniumyl-vinyl)-2,2-dimethyl-propionimidate Formula: C26H25N2OPS MolecularWeight: 444.528261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=NC(=C(C#N)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)S)[O-]

Isomeric SMILES

CC(C)(C)/C(=N\C(=C(C#N)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)S)/[O-]

InChI

InChI=1S/C26H25N2OPS/c1-26(2,3)25(29)28-24(31)23(19-27)30(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,1-3H3,(H-,28,29,31)