3-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-2-isopropylsulfanyl-5-methyl-6H-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 3-[(4-chlorophenyl)methyl]-5-methyl-2-(propan-2-ylthio)-6H-imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylsulfanyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-(4-chlorobenzyl)-2-(isopropylthio)-5-methyl-6H-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(NC2=O)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(NC2=O)C

InChI

InChI=1S/C16H17ClN4O2S/c1-9(2)24-16-18-12-13(15(23)20(3)19-14(12)22)21(16)8-10-4-6-11(17)7-5-10/h4-7,9H,8H2,1-3H3,(H,19,22)