3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C15H17N7OS MolecularWeight: 343.40678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=CN=CN3

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=NC2=O)NCCSCC3=CN=CN3

InChI

InChI=1S/C15H17N7OS/c23-14-13(6-11-2-1-3-16-7-11)21-22-15(20-14)18-4-5-24-9-12-8-17-10-19-12/h1-3,7-8,10H,4-6,9H2,(H,17,19)(H2,18,20,22,23)