N-[(4-cyanophenyl)methyl]-1-diphenylphosphoryl-methanethioamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-1-diphenylphosphoryl-methanethioamide Openeye Name: N-[(4-cyanophenyl)methyl]-1-diphenylphosphoryl-thioformamide CAS Name: N-[(4-cyanophenyl)methyl]-1-diphenylphosphorylmethanethioamide IUPAC Name: N-[(4-cyanophenyl)methyl]-1-diphenylphosphorylmethanethioamide Traditional Name: N-(4-cyanobenzyl)-1-diphenylphosphoryl-thioformamide Formula: C21H17N2OPS MolecularWeight: 376.411241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N2OPS/c22-15-17-11-13-18(14-12-17)16-23-21(26)25(24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,16H2,(H,23,26)