(2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O2S/c1-8(10(15)16)17-11-13-12-7-14(11)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)/t8-/m0/s1