3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-(2-furylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-(2-furanylmethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-fluorophenoxy)ethylthio]-4-(2-furfuryl)-5-phenyl-1,2,4-triazole Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c22-17-8-10-18(11-9-17)27-13-14-28-21-24-23-20(16-5-2-1-3-6-16)25(21)15-19-7-4-12-26-19/h1-12H,13-15H2