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

Systemtic Name: (4-bromophenyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (4-bromophenyl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (4-bromobenzyl) ester Formula: C20H14BrClN2O2S MolecularWeight: 461.75936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14BrClN2O2S/c1-12-17-10-18(20(25)26-11-13-2-4-14(21)5-3-13)27-19(17)24(23-12)16-8-6-15(22)7-9-16/h2-10H,11H2,1H3