methyl 2-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl)benzoate

Systemtic Name: methyl 2-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl)benzoate Openeye Name: methyl 2-(6-phenyl-2-thioxo-1,4-dihydro-1,3,5-triazin-5-ium-3-yl)benzoate CAS Name: 2-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl)benzoate Traditional Name: 2-(6-phenyl-2-thioxo-1,4-dihydro-s-triazin-5-ium-3-yl)benzoic acid methyl ester Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C[NH+]=C(NC2=S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C[NH+]=C(NC2=S)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-16(21)13-9-5-6-10-14(13)20-11-18-15(19-17(20)23)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,19,23)/p+1