2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)COC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H21N3O3S/c1-4-19-14(17-18-16(19)23-10-15(20)21)9-22-13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)