2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC(=O)O)C

InChI

InChI=1S/C13H15N3O2S2/c1-3-9-6-4-5-8(2)11(9)14-12-15-16-13(20-12)19-7-10(17)18/h4-6H,3,7H2,1-2H3,(H,14,15)(H,17,18)