3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H16FN3O2S MolecularWeight: 333.380543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN3O2S/c1-11-14(7-8-21-11)15-18-19-16(20(15)2)23-10-9-22-13-5-3-12(17)4-6-13/h3-8H,9-10H2,1-2H3