2-[[5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-[(2-bromo-4-propyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-[(2-bromo-4-propyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-3-5-12-6-7-14(13(18)9-12)24-10-15-19-20-17(21(15)8-4-2)25-11-16(22)23/h4,6-7,9H,2-3,5,8,10-11H2,1H3,(H,22,23)