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

Systemtic Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-2-11-14-15-13(19-9-8-12(17)18)16(11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)/p-1