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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c21-15(22)11-12-23-17-19-18-16(13-7-3-1-4-8-13)20(17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,21,22)