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

Systemtic Name: (1E)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-ethenyl]-4-nitro-benzenecarboximidate Openeye Name: (1E)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumyl-vinyl]-4-nitro-benzenecarboximidate CAS Name: (1E)-N-[(Z)-2-cyano-1-mercapto-2-triphenylphosphiniumylethenyl]-4-nitrobenzenecarboximidate IUPAC Name: (1E)-N-[(Z)-2-cyano-1-sulfanyl-2-triphenylphosphaniumylethenyl]-4-nitrobenzenecarboximidate Traditional Name: (1E)-N-[(Z)-2-cyano-1-mercapto-2-triphenylphosphiniumyl-vinyl]-4-nitro-benzenecarboximidate Formula: C28H20N3O3PS MolecularWeight: 509.515461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N3O3PS/c29-20-26(28(36)30-27(32)21-16-18-22(19-17-21)31(33)34)35(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,(H-,30,32,36)/b28-26-