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

Systemtic Name: 3-bromanyl-7-cyclopropyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]-oxidanyl-methyl]-5-ethyl-thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-cyclopropyl-5-ethyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-7-cyclopropyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-4-pyrazolyl]-hydroxymethyl]-5-ethyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)-hydroxymethyl]-3-bromo-7-cyclopropyl-5-ethylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-cyclopropyl-5-ethyl-thieno[2,3-d]pyridazin-4-one Formula: C30H29BrN4O2S MolecularWeight: 589.54586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=N1)C3CC3)SC(=C2Br)C(C4=C(N(N=C4C)C(C5=CC=CC=C5)C6=CC=CC=C6)C)O

Isomeric SMILES

CCN1C(=O)C2=C(C(=N1)C3CC3)SC(=C2Br)C(C4=C(N(N=C4C)C(C5=CC=CC=C5)C6=CC=CC=C6)C)O

InChI

InChI=1S/C30H29BrN4O2S/c1-4-34-30(37)23-24(31)29(38-28(23)25(33-34)19-15-16-19)27(36)22-17(2)32-35(18(22)3)26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,26-27,36H,4,15-16H2,1-3H3