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

Systemtic Name: 3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 3-ethyl-6-(p-tolylmethylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 3-ethyl-6-[(4-methylphenyl)methylthio]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 3-ethyl-6-[(4-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 3-ethyl-6-[(4-methylbenzyl)thio]-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-3-16-9-14-13(15-10-16)17-8-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15)/p+1