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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-ethyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)OCC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)OCC)SCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c1-3-12-15-16-14(21-9-13(18)19)17(12)10-5-7-11(8-6-10)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,18,19)