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

Systemtic Name: 2-[[4-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H7N4O2S- MolecularWeight: 259.26388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=C2SCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=C2SCC(=O)[O-])C#N

InChI

InChI=1S/C11H8N4O2S/c12-5-8-2-1-3-9(4-8)15-7-13-14-11(15)18-6-10(16)17/h1-4,7H,6H2,(H,16,17)/p-1