AC1OAOS1

[2,6-dimethoxy-4-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate

Also Known As: (E)-4-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate|[2,6-dimethoxy-4-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate|2,6-dimethoxy-4-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate|4-((E)-{[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenyl acetate

Molecular Formula	C20H20N4O4S
Molecular Weight	412.1205 g/mol
LogP	3.74081
Topological Polar Surface Area	90.73 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	412.1205
Monoisotopic Mass	412.1205
Heavy Atoms	29
Complexity	1091.2501

Chemical Identifiers

CAS Number	497083-75-7
SMILES	CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)OC(=O)C)OC