2-[[5-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[4-allyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C19H23BrN4O2S MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCC2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN4O2S/c1-2-11-24-17(12-26-16-9-7-14(20)8-10-16)22-23-19(24)27-13-18(25)21-15-5-3-4-6-15/h2,7-10,15H,1,3-6,11-13H2,(H,21,25)