2-[2,4-bis(chloranyl)phenoxy]ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-(2,4-dichlorophenoxy)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 2-(2,4-dichlorophenoxy)ethyl ester IUPAC Name: 2-(2,4-dichlorophenoxy)ethyl 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-(2,4-dichlorophenoxy)ethyl ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2O3S/c1-13-16-12-19(29-20(16)25(24-13)15-5-3-2-4-6-15)21(26)28-10-9-27-18-8-7-14(22)11-17(18)23/h2-8,11-12H,9-10H2,1H3