3-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCC(=O)O

InChI

InChI=1S/C19H19N3O2S/c1-13-3-7-15(8-4-13)18-20-21-19(25-12-11-17(23)24)22(18)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,23,24)