3-(4-tert-butylphenyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(3-fluoro-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C23H26FN3OS MolecularWeight: 411.535443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3OS/c1-6-13-27-21(17-8-10-18(11-9-17)23(2,3)4)25-26-22(27)29-15-16-7-12-20(28-5)19(24)14-16/h6-12,14H,1,13,15H2,2-5H3