5-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]pentanoic acid

Systemtic Name: 5-[[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]pentanoic acid Openeye Name: 5-[[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]pentanoic acid CAS Name: 5-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]pentanoic acid IUPAC Name: 5-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]pentanoic acid Traditional Name: 5-[[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thio]valeric acid Formula: C19H24N2O4S3 MolecularWeight: 440.59986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=NN=C(S2)SCCCCC(=O)O

InChI

InChI=1S/C19H24N2O4S3/c1-3-6-15-13(8-9-14(12(2)22)17(15)25)11-27-19-21-20-18(28-19)26-10-5-4-7-16(23)24/h8-9,25H,3-7,10-11H2,1-2H3,(H,23,24)