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

Systemtic Name: 3-[[4-(3-chlorophenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(3-chlorophenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(3-chlorophenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(3-chlorophenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(3-chlorophenyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCCC(=O)O

InChI

InChI=1S/C19H18ClN3O3S/c1-13-5-2-3-8-16(13)26-12-17-21-22-19(27-10-9-18(24)25)23(17)15-7-4-6-14(20)11-15/h2-8,11H,9-10,12H2,1H3,(H,24,25)