N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-chloro-6-fluoro-benzamide Formula: C16H11BrClFN4OS MolecularWeight: 441.705143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrClFN4OS/c17-9-4-6-10(7-5-9)23-13(21-22-16(23)25)8-20-15(24)14-11(18)2-1-3-12(14)19/h1-7H,8H2,(H,20,24)(H,22,25)