N-[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide

Systemtic Name: N-[4-fluoranyl-3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide Openeye Name: N-[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide CAS Name: N-[4-fluoro-3-(1-imidazolylmethyl)phenyl]-2-pyridinecarbothioamide IUPAC Name: N-[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide Traditional Name: N-[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]thiopicolinamide Formula: C16H13FN4S MolecularWeight: 312.364623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=S)NC2=CC(=C(C=C2)F)CN3C=CN=C3

Isomeric SMILES

C1=CC=NC(=C1)C(=S)NC2=CC(=C(C=C2)F)CN3C=CN=C3

InChI

InChI=1S/C16H13FN4S/c17-14-5-4-13(9-12(14)10-21-8-7-18-11-21)20-16(22)15-3-1-2-6-19-15/h1-9,11H,10H2,(H,20,22)