N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20BrFN4O2S MolecularWeight: 479.365803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN4O2S/c1-3-13-4-7-15(8-5-13)28-11-18-24-25-20(26(18)2)29-12-19(27)23-17-9-6-14(21)10-16(17)22/h4-10H,3,11-12H2,1-2H3,(H,23,27)