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

Systemtic Name: 2-[[5-[(3-bromanylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-bromophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13BrN3O3S- MolecularWeight: 383.24032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)[O-])COC2=CC(=CC=C2)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[O-])COC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H14BrN3O3S/c1-2-6-18-12(16-17-14(18)22-9-13(19)20)8-21-11-5-3-4-10(15)7-11/h2-5,7H,1,6,8-9H2,(H,19,20)/p-1