2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]sulfanylethanoate

Systemtic Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]sulfanylethanoate Openeye Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]sulfanylacetate CAS Name: 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrazinyl]thio]acetate IUPAC Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-yl]thio]acetate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CN=CC(=N3)SCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CN=CC(=N3)SCC(=O)[O-]

InChI

InChI=1S/C15H15N3O2S/c19-15(20)10-21-14-8-16-7-13(17-14)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8H,5-6,9-10H2,(H,19,20)/p-1