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

Systemtic Name: 2-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]sulfanyl]propanoic acid Openeye Name: 2-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid CAS Name: 2-[[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]thio]propanoic acid IUPAC Name: 2-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid Traditional Name: 2-[[3-(benzylthio)-1H-1,2,4-triazol-5-yl]thio]propionic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S2/c1-8(10(16)17)19-12-13-11(14-15-12)18-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)(H,13,14,15)