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

Systemtic Name: 2-[[4-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-cyanophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC(=C3)C#N)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC(=C3)C#N)SCC(=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c15-7-9-2-1-3-11(6-9)18-13(10-4-5-10)16-17-14(18)21-8-12(19)20/h1-3,6,10H,4-5,8H2,(H,19,20)/p-1