5-[[2-[(6-bromanylpyridin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[2-[(6-bromanylpyridin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2-methyl-benzoic acid Openeye Name: 5-[2-[(6-bromo-2-pyridyl)amino]thiazol-5-yl]sulfanyl-2-methyl-benzoic acid CAS Name: 5-[[2-[(6-bromo-2-pyridinyl)amino]-5-thiazolyl]thio]-2-methylbenzoic acid IUPAC Name: 5-[[2-[(6-bromopyridin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2-methylbenzoic acid Traditional Name: 5-[[2-[(6-bromo-2-pyridyl)amino]thiazol-5-yl]thio]-2-methyl-benzoic acid Formula: C16H12BrN3O2S2 MolecularWeight: 422.31938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=NC(=CC=C3)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=NC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C16H12BrN3O2S2/c1-9-5-6-10(7-11(9)15(21)22)23-14-8-18-16(24-14)20-13-4-2-3-12(17)19-13/h2-8H,1H3,(H,21,22)(H,18,19,20)