3-(hydroxymethyl)-7-nitro-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 3-(hydroxymethyl)-7-nitro-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 3-(hydroxymethyl)-7-nitro-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 3-(hydroxymethyl)-7-nitro-N-(3-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 3-(hydroxymethyl)-7-nitro-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 3-methylol-7-nitro-N-(3-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=S)NC3=CN=CC=C3)CO

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=S)NC3=CN=CC=C3)CO

InChI

InChI=1S/C16H16N4O3S/c21-10-15-6-11-3-4-14(20(22)23)7-12(11)9-19(15)16(24)18-13-2-1-5-17-8-13/h1-5,7-8,15,21H,6,9-10H2,(H,18,24)