2-(5-azanylpyridin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(5-azanylpyridin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-amino-2-pyridyl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-amino-2-pyridinyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(5-aminopyridin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-amino-2-pyridyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=C(C=C3)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=C(C=C3)N

InChI

InChI=1S/C16H17N3OS/c17-14-5-6-15(18-9-14)21-11-16(20)19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11,17H2