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

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H10ClN4O3S- MolecularWeight: 313.7401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC(=O)[O-])Cl

InChI

InChI=1S/C11H11ClN4O3S/c12-7-1-3-8(4-2-7)19-5-9-14-15-11(16(9)13)20-6-10(17)18/h1-4H,5-6,13H2,(H,17,18)/p-1