AC1OALW0

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

Also Known As: (E)-4-(((3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate|4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)-2-METHOXYPHENYL ACETATE|[2-methoxy-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate|2-methoxy-4-{(E)-[(3-phenyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate

Molecular Formula	C18H16N4O3S
Molecular Weight	368.0943 g/mol
LogP	3.42379
Topological Polar Surface Area	81.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	368.0943
Monoisotopic Mass	368.0943
Heavy Atoms	26
Complexity	1008.7757

Chemical Identifiers

CAS Number	496797-91-2
SMILES	CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OC