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

Systemtic Name: 2-phenethylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-phenethylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(phenethylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-phenethylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-benzyl-2-(phenethylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NNC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NNC3=O

InChI

InChI=1S/C20H18N4O2S/c25-18-16-17(19(26)23-22-18)24(13-15-9-5-2-6-10-15)20(21-16)27-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,25)(H,23,26)