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

Systemtic Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c22-15(23)12-24-17-20-19-16(14-6-9-18-10-7-14)21(17)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,22,23)/p-1