2-[(5-octylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-octylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-octylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(octylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[(5-octylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[[5-(octylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C12H20N2O2S3 MolecularWeight: 320.4944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(S1)SCC(=O)O

Isomeric SMILES

CCCCCCCCSC1=NN=C(S1)SCC(=O)O

InChI

InChI=1S/C12H20N2O2S3/c1-2-3-4-5-6-7-8-17-11-13-14-12(19-11)18-9-10(15)16/h2-9H2,1H3,(H,15,16)