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

Systemtic Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid [2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C16H12BrClN4O3S MolecularWeight: 455.71348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN4O3S/c1-22-6-11(18)14(21-22)15(24)25-7-13(23)20-16-19-12(8-26-16)9-2-4-10(17)5-3-9/h2-6,8H,7H2,1H3,(H,19,20,23)