2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-[[(4-fluorophenyl)methylthio]methyl]-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[[4-ethyl-5-[[(4-fluorobenzyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C21H22FIN4OS2 MolecularWeight: 556.458453

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FIN4OS2/c1-3-27-19(12-29-11-15-4-6-16(22)7-5-15)25-26-21(27)30-13-20(28)24-18-9-8-17(23)10-14(18)2/h4-10H,3,11-13H2,1-2H3,(H,24,28)