2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-bromophenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13BrN3O2S- MolecularWeight: 367.24092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H14BrN3O2S/c1-9(2)7-18-13(10-3-5-11(15)6-4-10)16-17-14(18)21-8-12(19)20/h3-6H,1,7-8H2,2H3,(H,19,20)/p-1