2-[6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-3-yl]ethanol

Systemtic Name: 2-[6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-3-yl]ethanol Openeye Name: 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-3-yl)ethanol CAS Name: 2-[6-(phenylmethylthio)-2,4-dihydro-1H-1,3,5-triazin-5-ium-3-yl]ethanol IUPAC Name: 2-(6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-3-yl)ethanol Traditional Name: 2-[6-(benzylthio)-2,4-dihydro-1H-s-triazin-5-ium-3-yl]ethanol Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=[NH+]CN1CCO)SCC2=CC=CC=C2

Isomeric SMILES

C1NC(=[NH+]CN1CCO)SCC2=CC=CC=C2

InChI

InChI=1S/C12H17N3OS/c16-7-6-15-9-13-12(14-10-15)17-8-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,13,14)/p+1