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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H16BrClN2O3S MolecularWeight: 491.78534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCOC3=CC(=CC=C3)Br)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16BrClN2O3S/c1-13-18-12-19(21(26)28-9-8-27-17-7-2-4-14(22)10-17)29-20(18)25(24-13)16-6-3-5-15(23)11-16/h2-7,10-12H,8-9H2,1H3