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

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)C3=CC=CC=C3

InChI

InChI=1S/C18H16FN3O2S/c1-22-17(12-6-4-3-5-7-12)20-21-18(22)25-11-15(23)13-8-9-16(24-2)14(19)10-13/h3-10H,11H2,1-2H3