2-(4-bromanylphenoxy)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C21H16BrFN2O3S MolecularWeight: 475.330743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrFN2O3S/c1-13-18-12-19(21(26)28-11-10-27-17-8-2-14(22)3-9-17)29-20(18)25(24-13)16-6-4-15(23)5-7-16/h2-9,12H,10-11H2,1H3