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

Systemtic Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1S)-2-methoxy-1-methyl-ethyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2S)-1-methoxypropan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1S)-2-methoxy-1-methyl-ethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-10(8-20-2)17-13(11-6-4-3-5-7-11)15-16-14(17)21-9-12(18)19/h3-7,10H,8-9H2,1-2H3,(H,18,19)/p-1/t10-/m0/s1