3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(2-furylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,6-difluorophenyl)methylthio]-4-(2-furanylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(2,6-difluorobenzyl)thio]-4-(2-furfuryl)-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H17F2N3O2S MolecularWeight: 413.440386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=CC=C4F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=CC=C4F)F

InChI

InChI=1S/C21H17F2N3O2S/c1-27-15-9-7-14(8-10-15)20-24-25-21(26(20)12-16-4-3-11-28-16)29-13-17-18(22)5-2-6-19(17)23/h2-11H,12-13H2,1H3