[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-bromanyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-bromanyl-2-methyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-bromo-2-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-2-methyl-3-pyrazolecarboxylic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-bromo-2-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-2-methyl-pyrazole-3-carboxylic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H13BrN4O3S/c1-21-14(11(17)7-18-21)15(23)24-8-13(22)20-16-19-12(9-25-16)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,19,20,22)