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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H23N3O2S/c1-12(2)10-21-16(19-20-17(21)24-11-15(22)23)13-6-8-14(9-7-13)18(3,4)5/h6-9H,1,10-11H2,2-5H3,(H,22,23)/p-1