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

Systemtic Name: 2-[[4-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(2-chlorophenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-chlorobenzyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H15ClN3O2S- MolecularWeight: 324.8058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=CC=C2Cl)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=CC=C2Cl)SCC(=O)[O-]

InChI

InChI=1S/C14H16ClN3O2S/c1-2-5-12-16-17-14(21-9-13(19)20)18(12)8-10-6-3-4-7-11(10)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20)/p-1