3-ethyl-6-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium

Systemtic Name: 3-ethyl-6-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 3-ethyl-6-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 3-ethyl-6-[(4-nitrophenyl)methylthio]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 3-ethyl-6-[(4-nitrophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 3-ethyl-6-[(4-nitrobenzyl)thio]-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C12H17N4O2S+ MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CNC(=NC1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CNC(=NC1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-2-15-8-13-12(14-9-15)19-7-10-3-5-11(6-4-10)16(17)18/h3-6H,2,7-9H2,1H3,(H,13,14)/p+1