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

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(2-methylsulfanylethyl)-3H-pyrazole-2-carboxamide Openeye Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(2-methylsulfanylethyl)-3H-pyrazole-2-carboxamide CAS Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-[2-(methylthio)ethyl]-3H-pyrazole-2-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-(2-methylsulfanylethyl)-3H-pyrazole-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-4-methyl-4-[2-(methylthio)ethyl]-2-pyrazoline-1-carboxamide Formula: C20H21BrClN3OS MolecularWeight: 466.82224

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3OS/c1-20(11-12-27-2)13-25(19(26)23-17-9-5-15(21)6-10-17)24-18(20)14-3-7-16(22)8-4-14/h3-10H,11-13H2,1-2H3,(H,23,26)