N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C16H12BrFN4OS MolecularWeight: 407.260083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)F

InChI

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