AC1MIJM8

4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrobromide

Also Known As: 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide|3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-((5-(phenylmethyl)-1H-1,2,4-triazol-3-yl)thio)-, monohydrobromide|Antipyrine, 4-((5-benzyl-4H-1,2,4-triazol-3-yl)thio)-, hydrobromide|4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-|4-[(5-Benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1)|4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one hydrobromide

Molecular Formula	C20H20BrN5OS
Molecular Weight	457.0572 g/mol
LogP	3.92242
Topological Polar Surface Area	68.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	457.0572
Monoisotopic Mass	457.0572
Heavy Atoms	28
Complexity	1118.7161

Chemical Identifiers

CAS Number	87236-34-8
SMILES	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC3=NNC(=N3)CC4=CC=CC=C4.Br