2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[5-(cyclopentylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[5-(cyclopentylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C17H20BrN3O2S2 MolecularWeight: 442.3936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=NN=C(S2)SC3CCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=NN=C(S2)SC3CCCC3)C)Br

InChI

InChI=1S/C17H20BrN3O2S2/c1-10-7-12(18)8-11(2)15(10)23-9-14(22)19-16-20-21-17(25-16)24-13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3,(H,19,20,22)