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

Systemtic Name: 3-bromanyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]-oxidanyl-methyl]-5-methyl-7-propan-2-yl-thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-isopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-2-[[1-(diphenylmethyl)-3,5-dimethyl-4-pyrazolyl]-hydroxymethyl]-5-methyl-7-propan-2-yl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)-hydroxymethyl]-3-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-isopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C29H29BrN4O2S MolecularWeight: 577.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(C4=C(C5=C(S4)C(=NN(C5=O)C)C(C)C)Br)O

Isomeric SMILES

CC1=C(C(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(C4=C(C5=C(S4)C(=NN(C5=O)C)C(C)C)Br)O

InChI

InChI=1S/C29H29BrN4O2S/c1-16(2)24-27-22(29(36)33(5)32-24)23(30)28(37-27)26(35)21-17(3)31-34(18(21)4)25(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-16,25-26,35H,1-5H3