2-[3-(2-methylpropylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 2-[3-(2-methylpropylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 2-[3-isobutylsulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 2-[3-(2-methylpropylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 2-[3-(2-methylpropylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 2-[3-(isobutylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C(C)C(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C)CSC1=NN=C(N1C(C)C(=O)O)C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S2/c1-8(2)7-20-13-15-14-11(10-5-4-6-19-10)16(13)9(3)12(17)18/h4-6,8-9H,7H2,1-3H3,(H,17,18)