2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-23-14-9-7-12(8-10-14)16-18-19-17(24-11-15(21)22)20(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22)/p+1