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

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(13-6-8-17-9-7-13)20(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1