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

Systemtic Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-2-10-13-14-12(18-8-11(16)17)15(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,16,17)