2-(3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propanoic acid

Systemtic Name: 2-(3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propanoic acid Openeye Name: 2-(3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; propionic acid CAS Name: 2-(3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; propanoic acid IUPAC Name: 2-(3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; propanoic acid Traditional Name: 2-(3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.C1CN=C(C2=CC=CC=C21)C(C#N)S

Isomeric SMILES

CCC(=O)O.C1CN=C(C2=CC=CC=C21)C(C#N)S

InChI

InChI=1S/C11H10N2S.C3H6O2/c12-7-10(14)11-9-4-2-1-3-8(9)5-6-13-11;1-2-3(4)5/h1-4,10,14H,5-6H2;2H2,1H3,(H,4,5)