3-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-fluorophenoxy)methyl]-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C22H20FN5OS MolecularWeight: 421.490503

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)COC4=CC=CC=C4F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)COC4=CC=CC=C4F

InChI

InChI=1S/C22H20FN5OS/c1-2-13-27-21(15-29-20-7-4-3-6-19(20)23)25-26-22(27)30-16-17-8-10-18(11-9-17)28-14-5-12-24-28/h2-12,14H,1,13,15-16H2