4,5-bis(bromanyl)-3-[(3S)-3-(4-chlorophenyl)-3-oxidanyl-propoxy]-1H-pyridazin-6-one

Systemtic Name: 4,5-bis(bromanyl)-3-[(3S)-3-(4-chlorophenyl)-3-oxidanyl-propoxy]-1H-pyridazin-6-one Openeye Name: 4,5-dibromo-3-[(3S)-3-(4-chlorophenyl)-3-hydroxy-propoxy]-1H-pyridazin-6-one CAS Name: 4,5-dibromo-3-[(3S)-3-(4-chlorophenyl)-3-hydroxypropoxy]-1H-pyridazin-6-one IUPAC Name: 4,5-dibromo-3-[(3S)-3-(4-chlorophenyl)-3-hydroxypropoxy]-1H-pyridazin-6-one Traditional Name: 4,5-dibromo-3-[(3S)-3-(4-chlorophenyl)-3-hydroxy-propoxy]-1H-pyridazin-6-one Formula: C13H11Br2ClN2O3 MolecularWeight: 438.49904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCOC2=NNC(=O)C(=C2Br)Br)O)Cl

Isomeric SMILES

C1=CC(=CC=C1[C@H](CCOC2=NNC(=O)C(=C2Br)Br)O)Cl

InChI

InChI=1S/C13H11Br2ClN2O3/c14-10-11(15)13(18-17-12(10)20)21-6-5-9(19)7-1-3-8(16)4-2-7/h1-4,9,19H,5-6H2,(H,17,20)/t9-/m0/s1