[1-cyano-2-(2,2-dimethylpropanoylamino)-2-sulfanyl-ethenyl]-triphenyl-phosphanium

Systemtic Name: [1-cyano-2-(2,2-dimethylpropanoylamino)-2-sulfanyl-ethenyl]-triphenyl-phosphanium Openeye Name: [1-cyano-2-(2,2-dimethylpropanoylamino)-2-sulfanyl-vinyl]-triphenyl-phosphonium CAS Name: [1-cyano-2-[(2,2-dimethyl-1-oxopropyl)amino]-2-mercaptoethenyl]-triphenylphosphonium IUPAC Name: [1-cyano-2-(2,2-dimethylpropanoylamino)-2-sulfanylethenyl]-triphenylphosphanium Traditional Name: [1-cyano-2-mercapto-2-(pivaloylamino)vinyl]-triphenyl-phosphonium Formula: C26H26N2OPS+ MolecularWeight: 445.536201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1