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

Systemtic Name: N-[[1-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide CAS Name: N-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4-triazolyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)triazol-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: N-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]pyrazinamide Formula: C18H18FN7OS MolecularWeight: 399.445223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=O)C4=NC=CN=C4)F

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=O)C4=NC=CN=C4)F

InChI

InChI=1S/C18H18FN7OS/c19-15-9-14(1-2-17(15)25-5-7-28-8-6-25)26-12-13(23-24-26)10-22-18(27)16-11-20-3-4-21-16/h1-4,9,11-12H,5-8,10H2,(H,22,27)