2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11ClN3O3S- MolecularWeight: 312.75204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C12H12ClN3O3S/c1-7-4-8(13)2-3-9(7)19-5-10-14-12(16-15-10)20-6-11(17)18/h2-4H,5-6H2,1H3,(H,17,18)(H,14,15,16)/p-1