5-dimorpholin-4-ylphosphinothioyl-1-(phenylmethyl)-4H-pyridine-3-carbonitrile

Systemtic Name: 5-dimorpholin-4-ylphosphinothioyl-1-(phenylmethyl)-4H-pyridine-3-carbonitrile Openeye Name: 1-benzyl-5-dimorpholinophosphinothioyl-4H-pyridine-3-carbonitrile CAS Name: 5-[bis(4-morpholinyl)phosphinothioyl]-1-(phenylmethyl)-4H-pyridine-3-carbonitrile IUPAC Name: 1-benzyl-5-dimorpholin-4-ylphosphinothioyl-4H-pyridine-3-carbonitrile Traditional Name: 1-benzyl-5-dimorpholinothiophosphoryl-4H-pyridine-3-carbonitrile Formula: C21H27N4O2PS MolecularWeight: 430.503441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=S)(C2=CN(C=C(C2)C#N)CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1COCCN1P(=S)(C2=CN(C=C(C2)C#N)CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H27N4O2PS/c22-15-20-14-21(18-23(17-20)16-19-4-2-1-3-5-19)28(29,24-6-10-26-11-7-24)25-8-12-27-13-9-25/h1-5,17-18H,6-14,16H2