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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)C(C3=NNN=C3)NC(=O)C4=NC=CN=C4)F

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)C(C3=NNN=C3)NC(=O)C4=NC=CN=C4)F

InChI

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