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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C11H10ClN3O2S/c1-7-8(12)3-2-4-9(7)15-6-13-14-11(15)18-5-10(16)17/h2-4,6H,5H2,1H3,(H,16,17)/p-1