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

Systemtic Name: 3-bromanyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]-oxidanyl-methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-2-[[1-(diphenylmethyl)-3,5-dimethyl-4-pyrazolyl]-hydroxymethyl]-7-ethyl-5-methyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)-hydroxymethyl]-3-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C28H27BrN4O2S MolecularWeight: 563.50858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=C1SC(=C2Br)C(C3=C(N(N=C3C)C(C4=CC=CC=C4)C5=CC=CC=C5)C)O)C

Isomeric SMILES

CCC1=NN(C(=O)C2=C1SC(=C2Br)C(C3=C(N(N=C3C)C(C4=CC=CC=C4)C5=CC=CC=C5)C)O)C

InChI

InChI=1S/C28H27BrN4O2S/c1-5-20-26-22(28(35)32(4)31-20)23(29)27(36-26)25(34)21-16(2)30-33(17(21)3)24(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24-25,34H,5H2,1-4H3