(phenylmethyl) 2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylethanoate Openeye Name: benzyl 2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetate CAS Name: 2-[(2-phenyl-6-imidazo[1,2-b]pyridazinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetate Traditional Name: 2-[(2-phenylimidazo[1,2-b]pyridazin-6-yl)thio]acetic acid benzyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN3C=C(N=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN3C=C(N=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c25-21(26-14-16-7-3-1-4-8-16)15-27-20-12-11-19-22-18(13-24(19)23-20)17-9-5-2-6-10-17/h1-13H,14-15H2