AC1OBV4J

4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Also Known As: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(5-bromothiophen-2-yl)methylideneamino]-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione|4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula	C16H15BrN4O3S2
Molecular Weight	453.9769 g/mol
LogP	4.33969
Topological Polar Surface Area	73.66 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	453.9769
Monoisotopic Mass	453.9769
Heavy Atoms	26
Complexity	984.0863

Chemical Identifiers

CAS Number	498570-01-7
SMILES	COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br