[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H15BrN2O3S/c1-13-17-11-19(28-20(17)24(23-13)16-5-3-2-4-6-16)21(26)27-12-18(25)14-7-9-15(22)10-8-14/h2-11H,12H2,1H3