4-ethyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)C3=C(OC=C3)C

InChI

InChI=1S/C17H18FN3O2S/c1-4-21-16(13-7-8-23-11(13)2)19-20-17(21)24-10-12-5-6-15(22-3)14(18)9-12/h5-9H,4,10H2,1-3H3