2-[[4-azanyl-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H8N5O2S- MolecularWeight: 274.27852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NN=C(N2N)SCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NN=C(N2N)SCC(=O)[O-])C#N

InChI

InChI=1S/C11H9N5O2S/c12-5-7-2-1-3-8(4-7)10-14-15-11(16(10)13)19-6-9(17)18/h1-4H,6,13H2,(H,17,18)/p-1