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

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methoxy-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-1H-pyridazine-6-thione Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-1H-pyridazine-6-thione Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)19-10-12(22)11-24-16-7-5-13(23-4)9-14(16)15-6-8-17(25)21-20-15/h5-9,12,19,22H,10-11H2,1-4H3,(H,21,25)