2-bromanyl-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzamide

Systemtic Name: 2-bromanyl-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzamide Openeye Name: 2-bromo-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzamide CAS Name: 2-bromo-N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]benzamide IUPAC Name: 2-bromo-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzamide Traditional Name: 2-bromo-N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]benzamide Formula: C16H12BrClN4OS MolecularWeight: 423.71468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C16H12BrClN4OS/c17-13-4-2-1-3-12(13)14(23)19-15-20-16(22-21-15)24-9-10-5-7-11(18)8-6-10/h1-8H,9H2,(H2,19,20,21,22,23)