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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C13H16N4O2S/c1-16(2)10-6-4-9(5-7-10)12-14-15-13(17(12)3)20-8-11(18)19/h4-7H,8H2,1-3H3,(H,18,19)/p-1