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

Systemtic Name: (2S)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C)CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-9(12(17)18)19-13-15-14-11(16(13)2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18)/p-1/t9-/m0/s1