4-bromanyl-5-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[[(4-chlorophenyl)thio]methyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[[(4-chlorophenyl)thio]methyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H14BrClN2OS MolecularWeight: 409.72786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14BrClN2OS/c1-20-15(11-23-14-9-7-12(19)8-10-14)16(18)17(22)21(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3