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

Systemtic Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-chloro-benzamide CAS Name: N-[[3-[(4-bromophenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]-4-chlorobenzamide IUPAC Name: N-[[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[3-[(4-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]-4-chloro-benzamide Formula: C17H14BrClN4OS MolecularWeight: 437.74126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H14BrClN4OS/c18-13-5-1-11(2-6-13)10-25-17-21-15(22-23-17)9-20-16(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,24)(H,21,22,23)