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

Systemtic Name: ethyl 2-[(4-bromophenyl)-methoxycarbonylsulfanyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)-methoxycarbonylsulfanyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromo-N-(methoxycarbonylthio)anilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)-methoxycarbonylsulfanylcarbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)-(carbomethoxythio)carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C22H21BrClN3O5S MolecularWeight: 554.84124

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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)SC(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O5S/c1-4-32-19(28)22(2)13-26(25-18(22)14-5-9-16(24)10-6-14)20(29)27(33-21(30)31-3)17-11-7-15(23)8-12-17/h5-12H,4,13H2,1-3H3