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

Systemtic Name: 2-[(5-octadecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-octadecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(octadecylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[(5-octadecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[[5-(stearylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C22H40N2O2S3 MolecularWeight: 460.7602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(S1)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(S1)SCC(=O)O

InChI

InChI=1S/C22H40N2O2S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-21-23-24-22(29-21)28-19-20(25)26/h2-19H2,1H3,(H,25,26)