2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C13H14FN3O2S MolecularWeight: 295.332563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C13H14FN3O2S/c1-8-15-16-13(17(8)2)20-7-11(18)9-4-5-12(19-3)10(14)6-9/h4-6H,7H2,1-3H3