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

Systemtic Name: 2-butan-2-ylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-sec-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(butan-2-ylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-butan-2-ylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-benzyl-2-(sec-butylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-3-10(2)23-16-17-12-13(15(22)19-18-14(12)21)20(16)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,21)(H,19,22)