2-bromanyl-N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromo-benzamide CAS Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide IUPAC Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide Traditional Name: N-[5-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-2-bromo-benzamide Formula: C21H20BrN3O2S2 MolecularWeight: 490.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C21H20BrN3O2S2/c1-11-9-12(2)18(14(4)26)13(3)16(11)10-28-21-25-24-20(29-21)23-19(27)15-7-5-6-8-17(15)22/h5-9H,10H2,1-4H3,(H,23,24,27)