N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]-4-nitro-benzamide

Systemtic Name: N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]-4-nitro-benzamide Openeye Name: N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]-4-nitro-benzamide CAS Name: N-(2-cyano-1-sulfanylidene-2-triphenylphosphoranylideneethyl)-4-nitrobenzamide IUPAC Name: N-[2-cyano-2-(triphenyl-$l^{5}-phosphanylidene)ethanethioyl]-4-nitrobenzamide Traditional Name: N-(2-cyano-2-triphenylphosphoranylidene-thioacetyl)-4-nitro-benzamide Formula: C28H20N3O3PS MolecularWeight: 509.515461

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Descriptors Computed from Structure

Canonical SMILES:

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

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)