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

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-ethanoyl-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide Openeye Name: 4-acetyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide CAS Name: 4-acetyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-[3-(methylthio)propyl]-3H-pyrazole-2-carboxamide IUPAC Name: 4-acetyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-methylsulfanylpropyl)-3H-pyrazole-2-carboxamide Traditional Name: 4-acetyl-N-(4-bromophenyl)-3-(4-chlorophenyl)-4-[3-(methylthio)propyl]-2-pyrazoline-1-carboxamide Formula: C22H23BrClN3O2S MolecularWeight: 508.85892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClN3O2S/c1-15(28)22(12-3-13-30-2)14-27(21(29)25-19-10-6-17(23)7-11-19)26-20(22)16-4-8-18(24)9-5-16/h4-11H,3,12-14H2,1-2H3,(H,25,29)