4-bromanyl-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one Openeye Name: 4-bromo-1-methyl-2-phenyl-5-(2-pyridylsulfanylmethyl)pyrazol-3-one CAS Name: 4-bromo-1-methyl-2-phenyl-5-[(2-pyridinylthio)methyl]-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one Traditional Name: 4-bromo-1-methyl-2-phenyl-5-[(2-pyridylthio)methyl]-3-pyrazolin-3-one Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=CC=CC=N3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=CC=CC=N3

InChI

InChI=1S/C16H14BrN3OS/c1-19-13(11-22-14-9-5-6-10-18-14)15(17)16(21)20(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3