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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C22H31BrN4O2S MolecularWeight: 495.47614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CC2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H31BrN4O2S/c1-2-3-4-5-6-7-14-27-20(15-29-19-12-8-17(23)9-13-19)25-26-22(27)30-16-21(28)24-18-10-11-18/h8-9,12-13,18H,2-7,10-11,14-16H2,1H3,(H,24,28)