AC1LZYFF

4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile

Also Known As: 4-(((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile|4-[({4-ethyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)methyl]benzonitrile|4-[(3-ethyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io)methyl]benzenecarbonitrile|4-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile|4-{[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile

Molecular Formula	C20H19N3OS2
Molecular Weight	381.09695 g/mol
LogP	4.52068
Topological Polar Surface Area	58.68 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	381.09695
Monoisotopic Mass	381.09695
Heavy Atoms	26
Complexity	1057.8254

Chemical Identifiers

CAS Number	575461-48-2
SMILES	CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C#N)SC4=C2CCCC4