ethyl 2-[(4-bromophenyl)-(2-methoxyethylsulfanyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)-(2-methoxyethylsulfanyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)-(2-methoxyethylsulfanyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromo-N-(2-methoxyethylthio)anilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)-(2-methoxyethylsulfanyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)-(2-methoxyethylthio)carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C23H25BrClN3O4S MolecularWeight: 554.8843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=C(C=C3)Br)SCCOC)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=C(C=C3)Br)SCCOC)C

InChI

InChI=1S/C23H25BrClN3O4S/c1-4-32-21(29)23(2)15-27(26-20(23)16-5-9-18(25)10-6-16)22(30)28(33-14-13-31-3)19-11-7-17(24)8-12-19/h5-12H,4,13-15H2,1-3H3