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

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-furyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetic acid Formula: C14H12N3O3S+ MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)O)C3=CC=CO3

InChI

InChI=1S/C14H11N3O3S/c18-12(19)9-21-14-16-15-13(11-7-4-8-20-11)17(14)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)/p+1