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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11ClN3O2S- MolecularWeight: 308.76334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O2S/c14-9-2-1-3-10(6-9)17-12(8-4-5-8)15-16-13(17)20-7-11(18)19/h1-3,6,8H,4-5,7H2,(H,18,19)/p-1