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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C21H31BrN4O2S MolecularWeight: 483.46544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H31BrN4O2S/c1-4-5-6-7-8-9-14-26-19(15-28-18-12-10-17(22)11-13-18)24-25-21(26)29-16(2)20(27)23-3/h10-13,16H,4-9,14-15H2,1-3H3,(H,23,27)