(2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C14H15N3O2S/c1-9(13(18)19)20-14-16-15-12(10-7-8-10)17(14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,19)/t9-/m0/s1