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

Systemtic Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-butoxyphenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazole Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3OS/c1-3-5-15-27-20-12-8-18(9-13-20)21-24-25-22(26(21)14-4-2)28-16-17-6-10-19(23)11-7-17/h4,6-13H,2-3,5,14-16H2,1H3