4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2F)COC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2=CC=CC=C2F)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20FN3O3S/c1-14(25)11-12-28-20-23-22-19(24(20)18-6-4-3-5-17(18)21)13-27-16-9-7-15(26-2)8-10-16/h3-10H,11-13H2,1-2H3