2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-15-7-9-17(10-8-15)26-13-18-21-22-20(27-14-19(24)25)23(18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,24,25)