5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-ethyl-1-(4-ethylphenyl)-1,3,5-triazinan-5-ium-2-thione Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC

InChI

InChI=1S/C13H19N3S/c1-3-11-5-7-12(8-6-11)16-10-15(4-2)9-14-13(16)17/h5-8H,3-4,9-10H2,1-2H3,(H,14,17)/p+1