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

Systemtic Name: 3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[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=CC(=CC(=C1)CSC2=NNC(=N2)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)C3=CC=CO3)C(=O)O

InChI

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