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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=O)C(=NN1)CC2=CN=CC=C2)SCC3=C(C=CC=N3)O

Isomeric SMILES

CCN(C1=NC(=O)C(=NN1)CC2=CN=CC=C2)SCC3=C(C=CC=N3)O

InChI

InChI=1S/C17H18N6O2S/c1-2-23(26-11-14-15(24)6-4-8-19-14)17-20-16(25)13(21-22-17)9-12-5-3-7-18-10-12/h3-8,10,24H,2,9,11H2,1H3,(H,20,22,25)