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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-tert-butylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(C)(C)C)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(C)(C)C)SCC(=O)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-10-16-17-14(21-9-13(19)20)18(10)12-7-5-11(6-8-12)15(2,3)4/h5-8H,9H2,1-4H3,(H,19,20)/p-1