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

Systemtic Name: 6-fluoranyl-3-(hydroxymethyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6-fluoro-3-(hydroxymethyl)-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6-fluoro-3-(hydroxymethyl)-N-(3-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6-fluoro-3-(hydroxymethyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6-fluoro-3-methylol-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)F)C(=S)NC3=CN=CC=C3)CO

Isomeric SMILES

C1C(N(CC2=C1C=C(C=C2)F)C(=S)NC3=CN=CC=C3)CO

InChI

InChI=1S/C16H16FN3OS/c17-13-4-3-11-9-20(15(10-21)7-12(11)6-13)16(22)19-14-2-1-5-18-8-14/h1-6,8,15,21H,7,9-10H2,(H,19,22)