4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)O

InChI

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