3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-prop-2-enoxy-phenyl]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-prop-2-enoxy-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[4-allyloxy-2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-prop-2-enoxyphenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-prop-2-enoxyphenyl]-1H-pyridazine-6-thione Traditional Name: 3-[4-allyloxy-2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1H-pyridazine-6-thione Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=CC(=C1)OCC=C)C2=NNC(=S)C=C2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=CC(=C1)OCC=C)C2=NNC(=S)C=C2)O

InChI

InChI=1S/C20H27N3O3S/c1-5-10-25-15-6-7-16(17-8-9-19(27)23-22-17)18(11-15)26-13-14(24)12-21-20(2,3)4/h5-9,11,14,21,24H,1,10,12-13H2,2-4H3,(H,23,27)