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

Systemtic Name: 3-[2-[2-(tert-butylamino)-3-oxidanyl-propoxy]-5-chloranyl-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[2-[2-(tert-butylamino)-3-hydroxy-propoxy]-5-chloro-phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[2-(tert-butylamino)-3-hydroxypropoxy]-5-chlorophenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[2-(tert-butylamino)-3-hydroxypropoxy]-5-chlorophenyl]-1H-pyridazine-6-thione Traditional Name: 3-[2-[2-(tert-butylamino)-3-hydroxy-propoxy]-5-chloro-phenyl]-1H-pyridazine-6-thione Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CO)COC1=C(C=C(C=C1)Cl)C2=NNC(=S)C=C2

Isomeric SMILES

CC(C)(C)NC(CO)COC1=C(C=C(C=C1)Cl)C2=NNC(=S)C=C2

InChI

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