5-ethyl-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-ethyl-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-ethyl-1-(o-tolyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-ethyl-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-ethyl-1-(2-methylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-ethyl-1-(o-tolyl)-1,3,5-triazinan-5-ium-2-thione Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2C

Isomeric SMILES

CC[NH+]1CNC(=S)N(C1)C2=CC=CC=C2C

InChI

InChI=1S/C12H17N3S/c1-3-14-8-13-12(16)15(9-14)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,16)/p+1