3-[2-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Openeye Name: 3-[2-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione CAS Name: 3-[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione Traditional Name: 3-[2-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)COC2=NNC(=S)C=C2)O

InChI

InChI=1S/C18H24ClN3O3S/c1-12-4-5-14(19)15(8-12)24-10-13(23)9-20-18(2,3)11-25-16-6-7-17(26)22-21-16/h4-8,13,20,23H,9-11H2,1-3H3,(H,22,26)