AC1LAO9I

2-(2-benzyl-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile

Also Known As: KST-1A2739|(2-benzyl-1,1-dioxido-3-oxo-2,3-dihydro-4h-thieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile|4H-Thieno(2,3-e)-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(phenylmethyl)-, 1,1-dioxide|1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der.|2-(1,1,3-Trioxo-2-benzylthiopheno(2,3-e)1,2,4-thiadiazin-4-yl)ethanenitrile|2-(2-benzyl-1,1,3-trioxo-thieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile|2-(2-benzyl-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-4-yl)acetonitrile|2-[1,1,3-Trioxo-2-benzylthiopheno[2,3-e]1,2,4-thiadiazin-4-yl]ethanenitrile|(2-Benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~-thieno[2,3-e][1,2,4]thiadiazin-4(1H)-yl)acetonitrile|4H-Thieno[2,3-e]-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(phenylmethyl)-, 1,1-dioxide

Molecular Formula	C14H11N3O3S2
Molecular Weight	333.02417 g/mol
LogP	1.8
Topological Polar Surface Area	118.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	333.02417
Monoisotopic Mass	333.02417
Heavy Atoms	22
Complexity	586.0

Chemical Identifiers

CAS Number	21602-36-8
SMILES	C1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)C=CS3)CC#N
InChIKey	PAXZBLWNIORLCR-UHFFFAOYSA-N