N-[[1-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]pyridine-2-carbothioamide

Systemtic Name: N-[[1-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]pyridine-2-carbothioamide Openeye Name: N-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]pyridine-2-carbothioamide CAS Name: N-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4-triazolyl]methyl]-2-pyridinecarbothioamide IUPAC Name: N-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)triazol-4-yl]methyl]pyridine-2-carbothioamide Traditional Name: N-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]thiopicolinamide Formula: C19H19FN6S2 MolecularWeight: 414.522763

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)C4=CC=CC=N4)F

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)C4=CC=CC=N4)F

InChI

InChI=1S/C19H19FN6S2/c20-16-11-15(4-5-18(16)25-7-9-28-10-8-25)26-13-14(23-24-26)12-22-19(27)17-3-1-2-6-21-17/h1-6,11,13H,7-10,12H2,(H,22,27)