(2S)-2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: (2S)-2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]propionate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1N)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1N)CC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-8(11(17)18)19-12-15-14-10(16(12)13)7-9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,17,18)/p-1/t8-/m0/s1