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

Systemtic Name: 2-[5-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanethioic S-acid Openeye Name: 2-[5-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanethioic S-acid CAS Name: 2-[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]ethanethioic S-acid IUPAC Name: 2-[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanethioic S-acid Traditional Name: 2-[5-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]thioacetic acid Formula: C16H18N2O3S3 MolecularWeight: 382.52072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S3/c1-3-4-12-10(5-6-11(9(2)19)15(12)21)8-23-16-18-17-13(24-16)7-14(20)22/h5-6,21H,3-4,7-8H2,1-2H3,(H,20,22)