2-[[5-[(2,5-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(2,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,5-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C12H12N3O2S2- MolecularWeight: 294.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NN=C(S2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NN=C(S2)SCC(=O)[O-]

InChI

InChI=1S/C12H13N3O2S2/c1-7-3-4-8(2)9(5-7)13-11-14-15-12(19-11)18-6-10(16)17/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17)/p-1