N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-propanoylphenoxy)acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(4-propionylphenoxy)acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S2/c1-2-17(24)15-8-10-16(11-9-15)26-12-18(25)21-19-22-23-20(28-19)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,22,25)