3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-5-[(4-fluorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H24FN3OS MolecularWeight: 433.540963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3OS/c1-2-3-17-30-23-15-11-20(12-16-23)24-27-28-25(29(24)22-7-5-4-6-8-22)31-18-19-9-13-21(26)14-10-19/h4-16H,2-3,17-18H2,1H3