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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC(=C1C2=NNC(=S)C=C2)OC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC(=C1C2=NNC(=S)C=C2)OC)O

InChI

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