AC1NRN3B

4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione

Also Known As: Thiamine, 1,5-naphthalenedisulfonate (1:1), monohydrate|4-(2,4-Dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione|4-(2,4-dimethoxyphenyl)-5-[3-[(4-nitrophenoxy)methyl]phenyl]-2H-1,2,4-triazole-3-thione|4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol|4-(2,4-DIMETHOXYPHENYL)-5-{3-[(4-NITROPHENOXY)METHYL]PHENYL}-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE|Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 1,5-naphthalenedisulfonate (1:1) (salt), monohydrate

Molecular Formula	C23H20N4O5S
Molecular Weight	464.11545 g/mol
LogP	5.10129
Topological Polar Surface Area	104.44 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	464.11545
Monoisotopic Mass	464.11545
Heavy Atoms	33
Complexity	1347.7216

Chemical Identifiers

CAS Number	7168-23-2
SMILES	COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=CC(=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC