2-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H10ClN4O2S- MolecularWeight: 297.7407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N2N)SCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N2N)SCC(=O)[O-])Cl

InChI

InChI=1S/C11H11ClN4O2S/c12-8-3-1-7(2-4-8)5-9-14-15-11(16(9)13)19-6-10(17)18/h1-4H,5-6,13H2,(H,17,18)/p-1