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

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-1-methyl-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 [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O3S/c1-13-18-12-19(29-21(18)25(24-13)17-6-4-3-5-7-17)22(27)28-14(2)20(26)15-8-10-16(23)11-9-15/h3-12,14H,1-2H3