3-(hydroxymethyl)-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 3-(hydroxymethyl)-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(hydroxymethyl)-N-(2-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(hydroxymethyl)-N-(2-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(hydroxymethyl)-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-methylol-N-(2-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CC=CC=N3)CO

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=S)NC3=CC=CC=N3)CO

InChI

InChI=1S/C16H17N3OS/c20-11-14-9-12-5-1-2-6-13(12)10-19(14)16(21)18-15-7-3-4-8-17-15/h1-8,14,20H,9-11H2,(H,17,18,21)