N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline Openeye Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline Traditional Name: [5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-p-phenetyl-amine Formula: C24H23BrN4OS MolecularWeight: 495.43462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H23BrN4OS/c1-2-30-22-13-11-20(12-14-22)26-16-23-27-28-24(29(23)21-9-4-3-5-10-21)31-17-18-7-6-8-19(25)15-18/h3-15,26H,2,16-17H2,1H3