2-dimethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-dimethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-dimethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-dimethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-dimethoxyphosphinothioyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-dimethoxythiophosphoryl-1H-isoquinoline-1-carbonitrile Formula: C12H13N2O2PS MolecularWeight: 280.282581

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Descriptors Computed from Structure

Canonical SMILES:

COP(=S)(N1C=CC2=CC=CC=C2C1C#N)OC

Isomeric SMILES

COP(=S)(N1C=CC2=CC=CC=C2C1C#N)OC

InChI

InChI=1S/C12H13N2O2PS/c1-15-17(18,16-2)14-8-7-10-5-3-4-6-11(10)12(14)9-13/h3-8,12H,1-2H3