5-chloranyl-4-[2-(phenylmethylsulfanyl)ethylamino]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[2-(phenylmethylsulfanyl)ethylamino]-1H-pyridazin-6-one Openeye Name: 4-(2-benzylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[2-(phenylmethylthio)ethylamino]-1H-pyridazin-6-one IUPAC Name: 4-(2-benzylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one Traditional Name: 4-[2-(benzylthio)ethylamino]-5-chloro-1H-pyridazin-6-one Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC2=C(C(=O)NN=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC2=C(C(=O)NN=C2)Cl

InChI

InChI=1S/C13H14ClN3OS/c14-12-11(8-16-17-13(12)18)15-6-7-19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,15,17,18)