2-[[4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9ClN3O2S- MolecularWeight: 282.72606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NN=C2SCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NN=C2SCC(=O)[O-])Cl

InChI

InChI=1S/C11H10ClN3O2S/c12-9-3-1-8(2-4-9)5-15-7-13-14-11(15)18-6-10(16)17/h1-4,7H,5-6H2,(H,16,17)/p-1