1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]pyrazole-3-carboxamide Formula: C22H19BrClN5OS MolecularWeight: 516.84116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C)Br

InChI

InChI=1S/C22H19BrClN5OS/c1-14-21(23)15(2)29(26-14)13-28-12-11-19(27-28)22(30)25-18-5-3-4-6-20(18)31-17-9-7-16(24)8-10-17/h3-12H,13H2,1-2H3,(H,25,30)