3-[4-bromanyl-3-(tert-butylamino)-2-(2-oxidanylpropoxy)phenyl]-1H-pyridazine-6-thione

Systemtic Name: 3-[4-bromanyl-3-(tert-butylamino)-2-(2-oxidanylpropoxy)phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[4-bromo-3-(tert-butylamino)-2-(2-hydroxypropoxy)phenyl]-1H-pyridazine-6-thione CAS Name: 3-[4-bromo-3-(tert-butylamino)-2-(2-hydroxypropoxy)phenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[4-bromo-3-(tert-butylamino)-2-(2-hydroxypropoxy)phenyl]-1H-pyridazine-6-thione Traditional Name: 3-[4-bromo-3-(tert-butylamino)-2-(2-hydroxypropoxy)phenyl]-1H-pyridazine-6-thione Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1NC(C)(C)C)Br)C2=NNC(=S)C=C2)O

Isomeric SMILES

CC(COC1=C(C=CC(=C1NC(C)(C)C)Br)C2=NNC(=S)C=C2)O

InChI

InChI=1S/C17H22BrN3O2S/c1-10(22)9-23-16-11(13-7-8-14(24)21-20-13)5-6-12(18)15(16)19-17(2,3)4/h5-8,10,19,22H,9H2,1-4H3,(H,21,24)