AC1MCETD

4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole

Also Known As: 11P-377S|4-methyl-3-[(4-nitrobenzyl)sulfanyl]-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole|4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole|4-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole|4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole

Molecular Formula	C23H19N7O2S
Molecular Weight	457.13208 g/mol
LogP	4.659
Topological Polar Surface Area	96.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	457.13208
Monoisotopic Mass	457.13208
Heavy Atoms	33
Complexity	1390.8887

Chemical Identifiers

CAS Number	477709-32-3
SMILES	CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5