3-[[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoic acid Openeye Name: 3-[5-(p-tolyl)thiadiazol-4-yl]sulfanylpropanoic acid CAS Name: 3-[[5-(4-methylphenyl)-4-thiadiazolyl]thio]propanoic acid IUPAC Name: 3-[5-(4-methylphenyl)thiadiazol-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-(p-tolyl)thiadiazol-4-yl]thio]propionic acid Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NS2)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NS2)SCCC(=O)O

InChI

InChI=1S/C12H12N2O2S2/c1-8-2-4-9(5-3-8)11-12(13-14-18-11)17-7-6-10(15)16/h2-5H,6-7H2,1H3,(H,15,16)