2-bromanyl-N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24BrN3OS2 MolecularWeight: 490.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C)C(C)(C)C

InChI

InChI=1S/C22H24BrN3OS2/c1-13-10-15(22(3,4)5)11-14(2)17(13)12-28-21-26-25-20(29-21)24-19(27)16-8-6-7-9-18(16)23/h6-11H,12H2,1-5H3,(H,24,25,27)