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

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

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O

InChI

InChI=1S/C17H20N4O2S/c1-2-3-7-10-24-17-18-13-14(16(23)20-19-15(13)22)21(17)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,19,22)(H,20,23)