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

Systemtic Name: 3-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-[(4-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-16-7-9-18(10-8-16)27-15-19-22-23-21(28-14-12-20(25)26)24(19)13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,25,26)