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

Systemtic Name: methyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(3-methylsulfanylpropyl)-3H-pyrazole-4-carboxylate Openeye Name: methyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(3-methylsulfanylpropyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-[3-(methylthio)propyl]-3H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(3-methylsulfanylpropyl)-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-4-[3-(methylthio)propyl]-2-pyrazoline-4-carboxylic acid methyl ester Formula: C22H23BrClN3O3S MolecularWeight: 524.85832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCSC

Isomeric SMILES

COC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCSC

InChI

InChI=1S/C22H23BrClN3O3S/c1-30-20(28)22(12-3-13-31-2)14-27(21(29)25-18-10-6-16(23)7-11-18)26-19(22)15-4-8-17(24)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,25,29)