2-diethoxyphosphinothioyl-1-methyl-isoquinoline-1-carbonitrile

Systemtic Name: 2-diethoxyphosphinothioyl-1-methyl-isoquinoline-1-carbonitrile Openeye Name: 2-diethoxyphosphinothioyl-1-methyl-isoquinoline-1-carbonitrile CAS Name: 2-diethoxyphosphinothioyl-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: 2-diethoxyphosphinothioyl-1-methylisoquinoline-1-carbonitrile Traditional Name: 2-diethoxythiophosphoryl-1-methyl-isoquinoline-1-carbonitrile Formula: C15H19N2O2PS MolecularWeight: 322.362321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(N1C=CC2=CC=CC=C2C1(C)C#N)OCC

Isomeric SMILES

CCOP(=S)(N1C=CC2=CC=CC=C2C1(C)C#N)OCC

InChI

InChI=1S/C15H19N2O2PS/c1-4-18-20(21,19-5-2)17-11-10-13-8-6-7-9-14(13)15(17,3)12-16/h6-11H,4-5H2,1-3H3