3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium

Systemtic Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 3-tert-butyl-6-[(4-chlorophenyl)methylthio]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 3-tert-butyl-6-[(4-chlorobenzyl)thio]-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C14H21ClN3S+ MolecularWeight: 298.85464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3S/c1-14(2,3)18-9-16-13(17-10-18)19-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,17)/p+1