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

Systemtic Name: 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-4-9-20-15(18-19-17(20)24-11-16(21)22)10-23-14-7-5-13(6-8-14)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,21,22)