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

Systemtic Name: N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-fluorobenzamide IUPAC Name: N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-methyl-propyl]-4-fluoro-benzamide Formula: C15H19FN4OS MolecularWeight: 322.400963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=NNC1=S)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN4OS/c1-4-20-13(18-19-15(20)22)12(9(2)3)17-14(21)10-5-7-11(16)8-6-10/h5-9,12H,4H2,1-3H3,(H,17,21)(H,19,22)/t12-/m0/s1