3-[[2-(1,3-benzodioxol-5-yl)-3-methoxy-imidazo[1,2-b]pyridazin-6-yl]sulfanylmethyl]aniline

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-yl)-3-methoxy-imidazo[1,2-b]pyridazin-6-yl]sulfanylmethyl]aniline Openeye Name: 3-[[2-(1,3-benzodioxol-5-yl)-3-methoxy-imidazo[1,2-b]pyridazin-6-yl]sulfanylmethyl]aniline CAS Name: 3-[[[2-(1,3-benzodioxol-5-yl)-3-methoxy-6-imidazo[1,2-b]pyridazinyl]thio]methyl]aniline IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yl)-3-methoxyimidazo[1,2-b]pyridazin-6-yl]sulfanylmethyl]aniline Traditional Name: [3-[[[2-(1,3-benzodioxol-5-yl)-3-methoxy-imidazo[1,2-b]pyridazin-6-yl]thio]methyl]phenyl]amine Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C2N1N=C(C=C2)SCC3=CC(=CC=C3)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(N=C2N1N=C(C=C2)SCC3=CC(=CC=C3)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N4O3S/c1-26-21-20(14-5-6-16-17(10-14)28-12-27-16)23-18-7-8-19(24-25(18)21)29-11-13-3-2-4-15(22)9-13/h2-10H,11-12,22H2,1H3