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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-12(16(21)22)23-17-19-18-15(13-8-4-2-5-9-13)20(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,21,22)