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

Systemtic Name: 2-[[4-(4-cyanophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-cyanophenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-cyanophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-cyanophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-cyanophenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=C(C=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C14H14N4O2S/c1-9(2)13-16-17-14(21-8-12(19)20)18(13)11-5-3-10(7-15)4-6-11/h3-6,9H,8H2,1-2H3,(H,19,20)/p-1