3-bromanyl-7-cyclopropyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]-oxidanyl-methyl]-5-methyl-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-methyl-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-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-7-cyclopropyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-4-pyrazolyl]-hydroxymethyl]-5-methyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)-hydroxymethyl]-3-bromo-7-cyclopropyl-5-methylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)-hydroxy-methyl]-3-bromo-7-cyclopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C29H27BrN4O2S MolecularWeight: 575.51928

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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)C6CC6)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)C6CC6)Br)O

InChI

InChI=1S/C29H27BrN4O2S/c1-16-21(17(2)34(31-16)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20)26(35)28-23(30)22-27(37-28)24(18-14-15-18)32-33(3)29(22)36/h4-13,18,25-26,35H,14-15H2,1-3H3