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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=C(C=C2)Cl)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=C(C=C2)Cl)SCC(=O)[O-]

InChI

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