2-(2-methylbutan-2-ylsulfanyl)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-(2-methylbutan-2-ylsulfanyl)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-(1,1-dimethylpropylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(2-methylbutan-2-ylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-(2-methylbutan-2-ylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-(tert-amylthio)-3-benzyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

Isomeric SMILES

CCC(C)(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

InChI

InChI=1S/C17H20N4O2S/c1-4-17(2,3)24-16-18-12-13(15(23)20-19-14(12)22)21(16)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,19,22)(H,20,23)