N-aminocarbonyl-2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C20H28BrN5O3S MolecularWeight: 498.43702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC(=O)N)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC(=O)N)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H28BrN5O3S/c1-2-3-4-5-6-7-12-26-17(13-29-16-10-8-15(21)9-11-16)24-25-20(26)30-14-18(27)23-19(22)28/h8-11H,2-7,12-14H2,1H3,(H3,22,23,27,28)