N-[2-[2-(azidomethyl)piperidin-1-yl]-5-fluoranyl-phenyl]pyridine-4-carbothioamide

Systemtic Name: N-[2-[2-(azidomethyl)piperidin-1-yl]-5-fluoranyl-phenyl]pyridine-4-carbothioamide Openeye Name: N-[2-[2-(azidomethyl)-1-piperidyl]-5-fluoro-phenyl]pyridine-4-carbothioamide CAS Name: N-[2-[2-(azidomethyl)-1-piperidinyl]-5-fluorophenyl]-4-pyridinecarbothioamide IUPAC Name: N-[2-[2-(azidomethyl)piperidin-1-yl]-5-fluorophenyl]pyridine-4-carbothioamide Traditional Name: N-[2-[2-(azidomethyl)piperidino]-5-fluoro-phenyl]thioisonicotinamide Formula: C18H19FN6S MolecularWeight: 370.447063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CN=[N+]=[N-])C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

Isomeric SMILES

C1CCN(C(C1)CN=[N+]=[N-])C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

InChI

InChI=1S/C18H19FN6S/c19-14-4-5-17(25-10-2-1-3-15(25)12-22-24-20)16(11-14)23-18(26)13-6-8-21-9-7-13/h4-9,11,15H,1-3,10,12H2,(H,23,26)