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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-isopentylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(3-methylbutylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-(3-methylbutylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-benzyl-2-(isoamylthio)-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:

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

InChI

InChI=1S/C17H20N4O2S/c1-11(2)8-9-24-17-18-13-14(16(23)20-19-15(13)22)21(17)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,19,22)(H,20,23)