2-bromanyl-N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20BrN3OS2 MolecularWeight: 462.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H20BrN3OS2/c1-20(2,3)14-10-8-13(9-11-14)12-26-19-24-23-18(27-19)22-17(25)15-6-4-5-7-16(15)21/h4-11H,12H2,1-3H3,(H,22,23,25)