5-chloranyl-3-(3-phenylsulfanylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-3-(3-phenylsulfanylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Openeye Name: 5-chloro-3-(3-phenylsulfanylpropoxy)-4-(3-pyridylmethylamino)-1H-pyridazin-6-one CAS Name: 5-chloro-3-[3-(phenylthio)propoxy]-4-(3-pyridinylmethylamino)-1H-pyridazin-6-one IUPAC Name: 5-chloro-3-(3-phenylsulfanylpropoxy)-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Traditional Name: 5-chloro-3-[3-(phenylthio)propoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H19ClN4O2S/c20-16-17(22-13-14-6-4-9-21-12-14)19(24-23-18(16)25)26-10-5-11-27-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H2,22,23,25)