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

Systemtic Name: 3-phenylpropyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN2O2S/c1-15-19-14-20(22(26)27-13-5-8-16-6-3-2-4-7-16)28-21(19)25(24-15)18-11-9-17(23)10-12-18/h2-4,6-7,9-12,14H,5,8,13H2,1H3