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

Systemtic Name: 3-[[4-azanyl-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-amino-5-[(2R)-2-oxolanyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-amino-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c15-18-12(11-5-2-6-21-11)16-17-14(18)22-8-9-3-1-4-10(7-9)13(19)20/h1,3-4,7,11H,2,5-6,8,15H2,(H,19,20)/t11-/m1/s1