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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoic acid Openeye Name: 3-[5-(4-tert-butylphenyl)thiadiazol-4-yl]sulfanylpropanoic acid CAS Name: 3-[[5-(4-tert-butylphenyl)-4-thiadiazolyl]thio]propanoic acid IUPAC Name: 3-[5-(4-tert-butylphenyl)thiadiazol-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-(4-tert-butylphenyl)thiadiazol-4-yl]thio]propionic acid Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-15(2,3)11-6-4-10(5-7-11)13-14(16-17-21-13)20-9-8-12(18)19/h4-7H,8-9H2,1-3H3,(H,18,19)