2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C14H18N4O2S/c1-2-18-13(16-17-14(18)21-9-12(19)20)11(15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,15H2,1H3,(H,19,20)/t11-/m0/s1