3-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethylamino]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(3-hydroxy-2-pyridyl)methylthio]ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=C(C=CC=N3)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C17H18N6O2S/c24-15-4-2-6-19-14(15)11-26-8-7-20-17-21-16(25)13(22-23-17)9-12-3-1-5-18-10-12/h1-6,10,24H,7-9,11H2,(H2,20,21,23,25)