3-dimorpholin-4-ylphosphinothioyl-5-diphenylphosphoryl-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 3-dimorpholin-4-ylphosphinothioyl-5-diphenylphosphoryl-1-methyl-pyrrole-2-carbonitrile Openeye Name: 3-dimorpholinophosphinothioyl-5-diphenylphosphoryl-1-methyl-pyrrole-2-carbonitrile CAS Name: 3-[bis(4-morpholinyl)phosphinothioyl]-5-diphenylphosphoryl-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 3-dimorpholin-4-ylphosphinothioyl-5-diphenylphosphoryl-1-methylpyrrole-2-carbonitrile Traditional Name: 3-dimorpholinothiophosphoryl-5-diphenylphosphoryl-1-methyl-pyrrole-2-carbonitrile Formula: C26H30N4O3P2S MolecularWeight: 540.553922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C#N)P(=S)(N2CCOCC2)N3CCOCC3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CC(=C1C#N)P(=S)(N2CCOCC2)N3CCOCC3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O3P2S/c1-28-24(21-27)25(35(36,29-12-16-32-17-13-29)30-14-18-33-19-15-30)20-26(28)34(31,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,20H,12-19H2,1H3