N-[(3-fluoranyl-4-morpholin-4-yl-phenyl)-(2H-1,2,3-triazol-4-yl)methyl]ethanethioamide

Systemtic Name: N-[(3-fluoranyl-4-morpholin-4-yl-phenyl)-(2H-1,2,3-triazol-4-yl)methyl]ethanethioamide Openeye Name: N-[(3-fluoro-4-morpholino-phenyl)-(2H-triazol-4-yl)methyl]thioacetamide CAS Name: N-[[3-fluoro-4-(4-morpholinyl)phenyl]-(2H-triazol-4-yl)methyl]ethanethioamide IUPAC Name: N-[(3-fluoro-4-morpholin-4-ylphenyl)-(2H-triazol-4-yl)methyl]ethanethioamide Traditional Name: N-[(3-fluoro-4-morpholino-phenyl)-(2H-triazol-4-yl)methyl]thioacetamide Formula: C15H18FN5OS MolecularWeight: 335.399723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC(C1=CC(=C(C=C1)N2CCOCC2)F)C3=NNN=C3

Isomeric SMILES

CC(=S)NC(C1=CC(=C(C=C1)N2CCOCC2)F)C3=NNN=C3

InChI

InChI=1S/C15H18FN5OS/c1-10(23)18-15(13-9-17-20-19-13)11-2-3-14(12(16)8-11)21-4-6-22-7-5-21/h2-3,8-9,15H,4-7H2,1H3,(H,18,23)(H,17,19,20)