3-[2-[[(2S)-3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-[[(2S)-3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Openeye Name: 3-[2-[[(2S)-3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione CAS Name: 3-[2-[[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione Traditional Name: 3-[2-[[(2S)-3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]-2-methyl-propoxy]-1H-pyridazine-6-thione Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=NNC(=S)C=C1)NCC(COC2=CC=CC=C2Cl)O

Isomeric SMILES

CC(C)(COC1=NNC(=S)C=C1)NC[C@@H](COC2=CC=CC=C2Cl)O

InChI

InChI=1S/C17H22ClN3O3S/c1-17(2,11-24-15-7-8-16(25)21-20-15)19-9-12(22)10-23-14-6-4-3-5-13(14)18/h3-8,12,19,22H,9-11H2,1-2H3,(H,21,25)/t12-/m0/s1