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

Systemtic Name: 2-[[5-[(4-bromanyl-3-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-bromo-3-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-bromo-3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(4-bromo-3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-bromo-3-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C11H9BrN3O2S2- MolecularWeight: 359.24206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrN3O2S2/c1-6-4-7(2-3-8(6)12)13-10-14-15-11(19-10)18-5-9(16)17/h2-4H,5H2,1H3,(H,13,14)(H,16,17)/p-1