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

Systemtic Name: 3-[2-methyl-2-[[2-oxidanyl-3-(2-propylphenoxy)propyl]amino]propoxy]-1H-pyridazine-6-thione Openeye Name: 3-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione CAS Name: 3-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione Traditional Name: 3-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

Isomeric SMILES

CCCC1=CC=CC=C1OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

InChI

InChI=1S/C20H29N3O3S/c1-4-7-15-8-5-6-9-17(15)25-13-16(24)12-21-20(2,3)14-26-18-10-11-19(27)23-22-18/h5-6,8-11,16,21,24H,4,7,12-14H2,1-3H3,(H,23,27)