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

Systemtic Name: 4-[[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 4-[[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 4-[[5-(2,5-dimethyl-1-pyrrolyl)-1H-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 4-[[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 4-[[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]thio]butyric acid Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC(=NN2)SCCCC(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=NC(=NN2)SCCCC(=O)O)C

InChI

InChI=1S/C12H16N4O2S/c1-8-5-6-9(2)16(8)11-13-12(15-14-11)19-7-3-4-10(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H,13,14,15)