2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-methoxy-2-oxo-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-methoxy-2-oxoethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-methoxy-2-oxoethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-keto-2-methoxy-ethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4S/c1-20-11(19)7-16-12(9-5-3-2-4-6-9)14-15-13(16)21-8-10(17)18/h2-6H,7-8H2,1H3,(H,17,18)