AC1OC1I8

4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

Also Known As: 4-{[1-Anthracen-9-yl-meth-(E)-ylidene]-amino}-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol|4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-triazole-3-th iol|4-(9-anthrylmethyleneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione|(E)-4-((anthracen-9-ylmethylene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol|4-(9-anthracenylmethylideneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione|4-(anthracen-9-ylmethylideneamino)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione|4-[(E)-anthracen-9-ylmethylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione|4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Molecular Formula	C26H18N6S
Molecular Weight	446.13138 g/mol
LogP	6.18639
Topological Polar Surface Area	74.65 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	446.13138
Monoisotopic Mass	446.13138
Heavy Atoms	33
Complexity	1636.9667

Chemical Identifiers

CAS Number	716331-37-2
SMILES	C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C4=C5C=CC=CC5=CC6=CC=CC=C64