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

Systemtic Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C14H10N3O3S- MolecularWeight: 300.3125

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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)/p-1