3-bromanyl-2-[[1-(diphenylmethyl)-3,5-dimethyl-pyrazol-4-yl]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]methyl]-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)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]methyl]-7-ethyl-5-methyl-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[(1-benzhydryl-3,5-dimethylpyrazol-4-yl)methyl]-3-bromo-7-ethyl-5-methylthieno[2,3-d]pyridazin-4-one Traditional Name: 2-[(1-benzhydryl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-bromo-7-ethyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C28H27BrN4OS MolecularWeight: 547.50918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=C1SC(=C2Br)CC3=C(N(N=C3C)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CCC1=NN(C(=O)C2=C1SC(=C2Br)CC3=C(N(N=C3C)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H27BrN4OS/c1-5-22-27-24(28(34)32(4)31-22)25(29)23(35-27)16-21-17(2)30-33(18(21)3)26(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,26H,5,16H2,1-4H3