N-[2-(3-ethynylpiperidin-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide

Systemtic Name: N-[2-(3-ethynylpiperidin-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide Openeye Name: N-[2-(3-ethynyl-1-piperidyl)-5-fluoro-phenyl]pyridine-4-carbothioamide CAS Name: N-[2-(3-ethynyl-1-piperidinyl)-5-fluorophenyl]-4-pyridinecarbothioamide IUPAC Name: N-[2-(3-ethynylpiperidin-1-yl)-5-fluorophenyl]pyridine-4-carbothioamide Traditional Name: N-[2-(3-ethynylpiperidino)-5-fluoro-phenyl]thioisonicotinamide Formula: C19H18FN3S MolecularWeight: 339.429723

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCN(C1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

Isomeric SMILES

C#CC1CCCN(C1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3

InChI

InChI=1S/C19H18FN3S/c1-2-14-4-3-11-23(13-14)18-6-5-16(20)12-17(18)22-19(24)15-7-9-21-10-8-15/h1,5-10,12,14H,3-4,11,13H2,(H,22,24)