2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4O2S/c1-14-11-15(2)24-25-20(14)19(16-7-4-3-5-8-16)23-21(25)28-13-18(26)22-12-17-9-6-10-27-17/h3-11H,12-13H2,1-2H3,(H,22,26)