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

Systemtic Name: 2-[[4-azanyl-5-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(4-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(4-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NN=C(N2N)SCC(=O)O

InChI

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