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

Systemtic Name: ethyl 4-(5-phenethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Openeye Name: ethyl 4-(5-phenethyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoate CAS Name: 4-(5-phenethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-phenethyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Traditional Name: 4-(5-phenethyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)/p+1