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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-10(9-6-4-3-5-7-9)12-15-16-13(17(12)14)20-8-11(18)19/h3-7,10H,2,8,14H2,1H3,(H,18,19)/p-1/t10-/m1/s1