3-bromanyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]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]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)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]methyl]-5-methyl-7-propan-2-yl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)methyl]-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)methyl]-3-bromo-7-isopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C29H29BrN4OS MolecularWeight: 561.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4=C(C5=C(S4)C(=NN(C5=O)C)C(C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4=C(C5=C(S4)C(=NN(C5=O)C)C(C)C)Br

InChI

InChI=1S/C29H29BrN4OS/c1-17(2)26-28-24(29(35)33(5)32-26)25(30)23(36-28)16-22-18(3)31-34(19(22)4)27(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17,27H,16H2,1-5H3