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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=CC=CO3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=CC=CO3)C(=O)[O-]

InChI

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