2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone Formula: C12H12FN3OS MolecularWeight: 265.306583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FN3OS/c1-2-11-14-12(16-15-11)18-7-10(17)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16)