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

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 6-[(4-bromophenyl)methylthio]-3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 6-[(4-bromobenzyl)thio]-3-ethyl-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C12H17BrN3S+ MolecularWeight: 315.25248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3S/c1-2-16-8-14-12(15-9-16)17-7-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)/p+1