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

Systemtic Name: 3-[[3-[(2R)-oxolan-2-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: 3-[[3-[(2R)-tetrahydrofuran-2-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 3-[[3-[(2R)-2-oxolanyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate IUPAC Name: 3-[[3-[(2R)-oxolan-2-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 3-[[3-[(2R)-tetrahydrofuran-2-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate Formula: C14H14N3O3S- MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3S/c18-13(19)10-4-1-3-9(7-10)8-17-12(15-16-14(17)21)11-5-2-6-20-11/h1,3-4,7,11H,2,5-6,8H2,(H,16,21)(H,18,19)/p-1/t11-/m1/s1