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

Systemtic Name: 2-[[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-5-8-21-16(19-20-18(21)25-11-17(22)23)10-24-15-9-13(4)6-7-14(15)12(2)3/h5-7,9,12H,1,8,10-11H2,2-4H3,(H,22,23)