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

Systemtic Name: 3-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c22-16(23)11-12-24-18-20-19-17(15-9-5-2-6-10-15)21(18)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)