ethyl 4-(5-ethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate

Systemtic Name: ethyl 4-(5-ethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Openeye Name: ethyl 4-(5-ethyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoate CAS Name: 4-(5-ethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-ethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Traditional Name: 4-(5-ethyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C14H19N3O2S/c1-3-16-9-15-14(20)17(10-16)12-7-5-11(6-8-12)13(18)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,20)/p+1