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

Systemtic Name: 2-[[4-azanyl-5-[(2-chloranyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(2-chloro-5-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(2-chloro-5-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C12H12ClN4O3S- MolecularWeight: 327.76668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C12H13ClN4O3S/c1-7-2-3-8(13)9(4-7)20-5-10-15-16-12(17(10)14)21-6-11(18)19/h2-4H,5-6,14H2,1H3,(H,18,19)/p-1