2-[[5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C19H24N3O3S- MolecularWeight: 374.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NN=C(N2CC=C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NN=C(N2CC=C)SCC(=O)[O-]

InChI

InChI=1S/C19H25N3O3S/c1-6-9-22-16(20-21-18(22)26-12-17(23)24)11-25-15-10-13(2)7-8-14(15)19(3,4)5/h6-8,10H,1,9,11-12H2,2-5H3,(H,23,24)/p-1