AC1LUQMS

3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Also Known As: Oprea1_642761|Oprea1_701561|3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole|4-allyl-3-(3-chlorobenzo[b]thiophen-2-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole|3-(3-chloro-1-benzothiophen-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole|3-(3-chlorobenzo[b]thiophen-2-yl)-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl- 1,2,4-triazole|3-(3-chlorobenzothiophen-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Molecular Formula	C20H15ClN4O2S2
Molecular Weight	442.0325 g/mol
LogP	6.1997
Topological Polar Surface Area	73.85 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	442.0325
Monoisotopic Mass	442.0325
Heavy Atoms	29
Complexity	1201.1458

Chemical Identifiers

CAS Number	488733-92-2
SMILES	C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=CC=CC=C4S3)Cl