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

Systemtic Name: 3-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-fluorophenoxy)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-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=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)COC4=CC=C(C=C4)F

InChI

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