4,5-bis(chloranyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[(2S)-2-(2-thienyl)pyrrolidino]methyl]pyridazin-3-one Formula: C13H13Cl2N3OS MolecularWeight: 330.23282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

C1C[C@H](N(C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C13H13Cl2N3OS/c14-9-7-16-18(13(19)12(9)15)8-17-5-1-3-10(17)11-4-2-6-20-11/h2,4,6-7,10H,1,3,5,8H2/t10-/m0/s1