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

Systemtic Name: 2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-1-methylpropyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-1-methylpropyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-3-10(2)17-13(11-7-5-4-6-8-11)15-16-14(17)20-9-12(18)19/h4-8,10H,3,9H2,1-2H3,(H,18,19)/p-1/t10-/m0/s1