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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=NS2)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=NS2)SCCC(=O)O

InChI

InChI=1S/C12H12N2O2S2/c15-11(16)6-7-17-12-10(18-14-13-12)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)