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

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)F

InChI

InChI=1S/C17H14FN3O2S/c1-23-15-8-7-12(9-13(15)18)14(22)10-24-17-19-16(20-21-17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,20,21)