3-[2-methyl-2-[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]propoxy]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-methyl-2-[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]propoxy]-1H-pyridazine-6-thione Openeye Name: 3-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione CAS Name: 3-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione Traditional Name: 3-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

InChI

InChI=1S/C18H25N3O3S/c1-13-6-4-5-7-15(13)23-11-14(22)10-19-18(2,3)12-24-16-8-9-17(25)21-20-16/h4-9,14,19,22H,10-12H2,1-3H3,(H,21,25)