(1Z)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-ethenyl]-4-methyl-benzenecarboximidate

Systemtic Name: (1Z)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-ethenyl]-4-methyl-benzenecarboximidate Openeye Name: (1Z)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-vinyl]-4-methyl-benzenecarboximidate CAS Name: (1Z)-N-[(Z)-2-cyano-1-mercapto-2-triphenylphosphiniumylethenyl]-4-methylbenzenecarboximidate IUPAC Name: (1Z)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumylethenyl]-4-methylbenzenecarboximidate Traditional Name: (1Z)-N-[(Z)-2-cyano-1-mercapto-2-triphenylphosphiniumyl-vinyl]-4-methyl-benzenecarboximidate Formula: C29H23N2OPS MolecularWeight: 478.544481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NC(=C(C#N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/C(=C(\C#N)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/S)/[O-]

InChI

InChI=1S/C29H23N2OPS/c1-22-17-19-23(20-18-22)28(32)31-29(34)27(21-30)33(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,1H3,(H-,31,32,34)/b29-27-