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

Systemtic Name: 2-ethylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-ethylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(ethylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-ethylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-benzyl-2-(ethylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-2-21-14-15-10-11(13(20)17-16-12(10)19)18(14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,16,19)(H,17,20)