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

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-chloranyl-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorophenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorophenyl]-1H-pyridazine-6-thione Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-phenyl]-1H-pyridazine-6-thione Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O2S/c1-17(2,3)19-9-12(22)10-23-15-8-11(18)4-5-13(15)14-6-7-16(24)21-20-14/h4-8,12,19,22H,9-10H2,1-3H3,(H,21,24)