2-[[4-[(2S)-3-methylbutan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-3-methylbutan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1,2-dimethylpropyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(C)C)N1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-10(2)11(3)18-14(12-7-5-4-6-8-12)16-17-15(18)21-9-13(19)20/h4-8,10-11H,9H2,1-3H3,(H,19,20)/p-1/t11-/m0/s1