6-bromanyl-2-(2-methylpropylsulfonyl)-1-oxidanyl-thieno[3,2-d][1,2,3]diazaborinine

Systemtic Name: 6-bromanyl-2-(2-methylpropylsulfonyl)-1-oxidanyl-thieno[3,2-d][1,2,3]diazaborinine Openeye Name: 6-bromo-1-hydroxy-2-isobutylsulfonyl-thieno[3,2-d]diazaborinine CAS Name: 6-bromo-1-hydroxy-2-(2-methylpropylsulfonyl)thieno[3,2-d]diazaborine IUPAC Name: 6-bromo-1-hydroxy-2-(2-methylpropylsulfonyl)thieno[3,2-d]diazaborinine Traditional Name: 6-bromo-1-hydroxy-2-isobutylsulfonyl-thieno[3,2-d]diazaborine Formula: C9H12BBrN2O3S2 MolecularWeight: 351.04818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=NN1S(=O)(=O)CC(C)C)SC(=C2)Br)O

Isomeric SMILES

B1(C2=C(C=NN1S(=O)(=O)CC(C)C)SC(=C2)Br)O

InChI

InChI=1S/C9H12BBrN2O3S2/c1-6(2)5-18(15,16)13-10(14)7-3-9(11)17-8(7)4-12-13/h3-4,6,14H,5H2,1-2H3