4-bromanyl-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[2-[(4-chlorophenyl)thio]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C17H13BrClN3OS MolecularWeight: 422.72662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H13BrClN3OS/c1-22-10-13(18)16(21-22)17(23)20-14-4-2-3-5-15(14)24-12-8-6-11(19)7-9-12/h2-10H,1H3,(H,20,23)