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

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1C)SCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NN=C(N1C)SCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4OS/c1-14(2)18(23-20(27)16-7-5-4-6-8-16)19-24-25-21(26(19)3)28-13-15-9-11-17(22)12-10-15/h4-12,14,18H,13H2,1-3H3,(H,23,27)