5-[[(4-bromophenyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[(4-bromophenyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-bromoanilino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(4-bromoanilino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-bromoanilino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(4-bromoanilino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C16H12BrFN4OS MolecularWeight: 407.260083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=NN=C(S2)CNC3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=NN=C(S2)CNC3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H12BrFN4OS/c17-10-1-5-12(6-2-10)19-9-14-21-22-16(24-14)15(23)20-13-7-3-11(18)4-8-13/h1-8,19H,9H2,(H,20,23)