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

Systemtic Name: (2S)-2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propionic acid Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NNC(=N1)C2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NNC(=N1)C2CCCCC2

InChI

InChI=1S/C11H17N3O2S/c1-7(10(15)16)17-11-12-9(13-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)(H,12,13,14)/t7-/m0/s1