2-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O2S/c1-16-11(8-7-10-5-3-2-4-6-10)14-15-13(16)19-9-12(17)18/h2-8H,9H2,1H3,(H,17,18)/p-1/b8-7+