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

Systemtic Name: N-[1-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide Openeye Name: N-[1-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide CAS Name: N-[1-[3-[(4-bromophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-2-methylpropyl]benzamide IUPAC Name: N-[1-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-methylpropyl]benzamide Traditional Name: N-[1-[3-[(4-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC(=NN1)SCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NC(=NN1)SCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-13(2)17(22-19(26)15-6-4-3-5-7-15)18-23-20(25-24-18)27-12-14-8-10-16(21)11-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,26)(H,23,24,25)