3-bromanyl-2-[(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)-oxidanyl-methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one

Systemtic Name: 3-bromanyl-2-[(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)-oxidanyl-methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Openeye Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]-hydroxy-methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridinyl)-4-pyrazolyl]-hydroxymethyl]-7-ethyl-5-methyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 3-bromo-2-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-hydroxymethyl]-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one Traditional Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]-hydroxy-methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=C1SC(=C2Br)C(C3=C(N(N=C3C)C4=CC=CC=N4)C)O)C

Isomeric SMILES

CCC1=NN(C(=O)C2=C1SC(=C2Br)C(C3=C(N(N=C3C)C4=CC=CC=N4)C)O)C

InChI

InChI=1S/C20H20BrN5O2S/c1-5-12-18-15(20(28)25(4)24-12)16(21)19(29-18)17(27)14-10(2)23-26(11(14)3)13-8-6-7-9-22-13/h6-9,17,27H,5H2,1-4H3