AC1MRIRC

2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone

Also Known As: 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(4-nitrophenyl)ethanone|2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Molecular Formula	C20H17N5O3S3
Molecular Weight	471.04935 g/mol
LogP	4.8229
Topological Polar Surface Area	103.29 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	471.04935
Monoisotopic Mass	471.04935
Heavy Atoms	31
Complexity	1329.8341

Chemical Identifiers

CAS Number	799784-89-7
SMILES	CSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]