5-methyl-1-phenethyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 5-methyl-1-phenethyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-isopropylsulfanyl-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 5-methyl-1-phenethyl-2-(propan-2-ylthio)-6H-imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 5-methyl-1-phenethyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-(isopropylthio)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NN(C2=O)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NN(C2=O)C

InChI

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