N-butan-2-yl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4O2S/c1-3-15(2)23-20(27)14-29-21-25-24-19(26(21)16-9-5-4-6-10-16)13-28-18-12-8-7-11-17(18)22/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)