N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-benzamide Openeye Name: N-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-fluoro-benzamide CAS Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide IUPAC Name: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide Traditional Name: N-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-fluoro-benzamide Formula: C12H13FN4OS MolecularWeight: 280.321223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCN1C(=NNC1=S)CNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN4OS/c1-2-17-10(15-16-12(17)19)7-14-11(18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,18)(H,16,19)