3-[(6-bromanyl-2,2-dimethyl-1,3-benzoxazin-4-yl)sulfanyl]-1H-pyridazin-6-one

Systemtic Name: 3-[(6-bromanyl-2,2-dimethyl-1,3-benzoxazin-4-yl)sulfanyl]-1H-pyridazin-6-one Openeye Name: 3-[(6-bromo-2,2-dimethyl-1,3-benzoxazin-4-yl)sulfanyl]-1H-pyridazin-6-one CAS Name: 3-[(6-bromo-2,2-dimethyl-1,3-benzoxazin-4-yl)thio]-1H-pyridazin-6-one IUPAC Name: 3-[(6-bromo-2,2-dimethyl-1,3-benzoxazin-4-yl)sulfanyl]-1H-pyridazin-6-one Traditional Name: 3-[(6-bromo-2,2-dimethyl-1,3-benzoxazin-4-yl)thio]-1H-pyridazin-6-one Formula: C14H12BrN3O2S MolecularWeight: 366.23298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)Br)SC3=NNC(=O)C=C3)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)Br)SC3=NNC(=O)C=C3)C

InChI

InChI=1S/C14H12BrN3O2S/c1-14(2)16-13(21-12-6-5-11(19)17-18-12)9-7-8(15)3-4-10(9)20-14/h3-7H,1-2H3,(H,17,19)