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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H13N4O3S- MolecularWeight: 341.36442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O3S/c1-23-13-4-2-12(3-5-13)20-15(11-6-8-17-9-7-11)18-19-16(20)24-10-14(21)22/h2-9H,10H2,1H3,(H,21,22)/p-1