2-[[4-azanyl-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(2R)-2-phenylpropyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1N)SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC1=NN=C(N1N)SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2S/c1-9(10-5-3-2-4-6-10)7-11-15-16-13(17(11)14)20-8-12(18)19/h2-6,9H,7-8,14H2,1H3,(H,18,19)/p-1/t9-/m1/s1