[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-11-2-4-14(5-3-11)20-17-21-15(10-24-17)9-23-16(22)12-6-13(18)8-19-7-12/h2-8,10H,9H2,1H3,(H,20,21)