1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide

Systemtic Name: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide Openeye Name: 1-diphenylphosphoryl-N-(3-ethynylphenyl)thioformamide CAS Name: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide IUPAC Name: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide Traditional Name: 1-diphenylphosphoryl-N-(3-ethynylphenyl)thioformamide Formula: C21H16NOPS MolecularWeight: 361.396601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=S)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=S)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H16NOPS/c1-2-17-10-9-11-18(16-17)22-21(25)24(23,19-12-5-3-6-13-19)20-14-7-4-8-15-20/h1,3-16H,(H,22,25)