2-[[5-propan-2-yl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-propan-2-yl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-isopropyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-propan-2-yl-4-(3-pyridinylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-propan-2-yl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CN=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CN=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-9(2)12-15-16-13(20-8-11(18)19)17(12)7-10-4-3-5-14-6-10/h3-6,9H,7-8H2,1-2H3,(H,18,19)/p-1