3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methyl-phenyl]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methyl-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methyl-phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methylphenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methylphenyl]-1H-pyridazine-6-thione Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methyl-phenyl]-1H-pyridazine-6-thione Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-12-5-7-16(23-11-13(22)10-19-18(2,3)4)14(9-12)15-6-8-17(24)21-20-15/h5-9,13,19,22H,10-11H2,1-4H3,(H,21,24)