(2R)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-4-oxidanyl-butanoate

Systemtic Name: (2R)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-4-oxidanyl-butanoate Openeye Name: (2R)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-4-hydroxy-butanoate CAS Name: (2R)-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-4-hydroxybutanoate IUPAC Name: (2R)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-4-hydroxybutanoate Traditional Name: (2R)-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-4-hydroxy-butyrate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SC(CCO)C(=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2S[C@H](CCO)C(=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O3S/c1-11-10-12(2)20-21-16(11)15(13-6-4-3-5-7-13)19-18(21)25-14(8-9-22)17(23)24/h3-7,10,14,22H,8-9H2,1-2H3,(H,23,24)/p-1/t14-/m1/s1