2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-tolyl)-4-p-phenetyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)[O-])C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)[O-])C3=CC(=CC=C3)C

InChI

InChI=1S/C19H19N3O3S/c1-3-25-16-9-7-15(8-10-16)22-18(14-6-4-5-13(2)11-14)20-21-19(22)26-12-17(23)24/h4-11H,3,12H2,1-2H3,(H,23,24)