(2R)-2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: (2R)-2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2R)-2-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-9(2)12-15-16-14(20-10(3)13(18)19)17(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,18,19)/p-1/t10-/m1/s1