2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O2S/c1-3-13-25-19(14-27-18-12-8-7-11-17(18)22)23-24-21(25)28-15(2)20(26)16-9-5-4-6-10-16/h3-12,15H,1,13-14H2,2H3