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

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(C(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(C(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN4OS/c1-4-27-20(19(15(2)3)24-21(28)17-8-6-5-7-9-17)25-26-22(27)29-14-16-10-12-18(23)13-11-16/h5-13,15,19H,4,14H2,1-3H3,(H,24,28)