4-[[4-azanyl-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-azanyl-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-[(2R)-2-oxolanyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-amino-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C14H15N4O3S- MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c15-18-12(11-2-1-7-21-11)16-17-14(18)22-8-9-3-5-10(6-4-9)13(19)20/h3-6,11H,1-2,7-8,15H2,(H,19,20)/p-1/t11-/m1/s1