4-bromanyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide Openeye Name: 4-bromo-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide CAS Name: 4-bromo-N-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide IUPAC Name: 4-bromo-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide Traditional Name: 4-bromo-N-[1-[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide Formula: C31H26BrFN4OS MolecularWeight: 601.531743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H26BrFN4OS/c1-21-7-17-27(18-8-21)37-29(35-36-31(37)39-20-23-9-15-26(33)16-10-23)28(19-22-5-3-2-4-6-22)34-30(38)24-11-13-25(32)14-12-24/h2-18,28H,19-20H2,1H3,(H,34,38)