N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide Openeye Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide CAS Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-3H-pyrazole-2-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-2-pyrazoline-1-carboxamide Formula: C21H23BrClN3OS MolecularWeight: 480.84882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CCCSC

InChI

InChI=1S/C21H23BrClN3OS/c1-21(12-3-13-28-2)14-26(20(27)24-18-10-6-16(22)7-11-18)25-19(21)15-4-8-17(23)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,24,27)