2-(4-bromophenyl)-1-[(3-chlorophenyl)methyl]-N-(4-methylsulfanylphenyl)-3-oxidanylidene-pyrazole-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-1-[(3-chlorophenyl)methyl]-N-(4-methylsulfanylphenyl)-3-oxidanylidene-pyrazole-4-carboxamide Openeye Name: 2-(4-bromophenyl)-1-[(3-chlorophenyl)methyl]-N-(4-methylsulfanylphenyl)-3-oxo-pyrazole-4-carboxamide CAS Name: 2-(4-bromophenyl)-1-[(3-chlorophenyl)methyl]-N-[4-(methylthio)phenyl]-3-oxo-4-pyrazolecarboxamide IUPAC Name: 2-(4-bromophenyl)-1-[(3-chlorophenyl)methyl]-N-(4-methylsulfanylphenyl)-3-oxopyrazole-4-carboxamide Traditional Name: 2-(4-bromophenyl)-1-(3-chlorobenzyl)-3-keto-N-[4-(methylthio)phenyl]-3-pyrazoline-4-carboxamide Formula: C24H19BrClN3O2S MolecularWeight: 528.84856

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CN(N(C2=O)C3=CC=C(C=C3)Br)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CN(N(C2=O)C3=CC=C(C=C3)Br)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H19BrClN3O2S/c1-32-21-11-7-19(8-12-21)27-23(30)22-15-28(14-16-3-2-4-18(26)13-16)29(24(22)31)20-9-5-17(25)6-10-20/h2-13,15H,14H2,1H3,(H,27,30)