5-methyl-7-(2-methylpropyl)-3-(3-oxidanylpropylsulfanyl)-2-(phenylmethyl)thieno[2,3-d]pyridazin-4-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-3-(3-oxidanylpropylsulfanyl)-2-(phenylmethyl)thieno[2,3-d]pyridazin-4-one Openeye Name: 2-benzyl-3-(3-hydroxypropylsulfanyl)-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-(3-hydroxypropylthio)-5-methyl-7-(2-methylpropyl)-2-(phenylmethyl)-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-benzyl-3-(3-hydroxypropylsulfanyl)-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one Traditional Name: 2-benzyl-3-(3-hydroxypropylthio)-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C1SC(=C2SCCCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C1SC(=C2SCCCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2S2/c1-14(2)12-16-19-18(21(25)23(3)22-16)20(26-11-7-10-24)17(27-19)13-15-8-5-4-6-9-15/h4-6,8-9,14,24H,7,10-13H2,1-3H3