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

Systemtic Name: 2-[[5-[3-(4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[3-(4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[3-(4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[3-(4-tert-butylphenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H24N3O3S- MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC2=NN=C(N2C)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC2=NN=C(N2C)SCC(=O)[O-]

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)13-7-9-14(10-8-13)24-11-5-6-15-19-20-17(21(15)4)25-12-16(22)23/h7-10H,5-6,11-12H2,1-4H3,(H,22,23)/p-1