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

Systemtic Name: 2-[[4-(4-iodophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-iodophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-iodophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-iodophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-iodophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H9IN3O2S- MolecularWeight: 374.17753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)I)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)I)SCC(=O)[O-]

InChI

InChI=1S/C11H10IN3O2S/c1-7-13-14-11(18-6-10(16)17)15(7)9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,16,17)/p-1