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

Systemtic Name: methyl 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl]benzoate Openeye Name: methyl 4-[6-(p-tolyl)-2-thioxo-1,4-dihydro-1,3,5-triazin-5-ium-3-yl]benzoate CAS Name: 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-methylphenyl)-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-5-ium-3-yl]benzoate Traditional Name: 4-[6-(p-tolyl)-2-thioxo-1,4-dihydro-s-triazin-5-ium-3-yl]benzoic acid methyl ester Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]CN(C(=S)N2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]CN(C(=S)N2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O2S/c1-12-3-5-13(6-4-12)16-19-11-21(18(24)20-16)15-9-7-14(8-10-15)17(22)23-2/h3-10H,11H2,1-2H3,(H,19,20,24)/p+1