2-bromanyl-N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]benzamide

Systemtic Name: 2-bromanyl-N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]benzamide Openeye Name: 2-bromo-N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]benzamide CAS Name: 2-bromo-N-(2-cyano-1-sulfanylidene-2-triphenylphosphoranylideneethyl)benzamide IUPAC Name: 2-bromo-N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]benzamide Traditional Name: 2-bromo-N-(2-cyano-2-triphenylphosphoranylidene-thioacetyl)benzamide Formula: C28H20BrN2OPS MolecularWeight: 543.413961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=C(C#N)C(=S)NC(=O)C2=CC=CC=C2Br)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)P(=C(C#N)C(=S)NC(=O)C2=CC=CC=C2Br)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H20BrN2OPS/c29-25-19-11-10-18-24(25)27(32)31-28(34)26(20-30)33(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,(H,31,32,34)