3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3OS/c1-23-11-10-22-17(15-7-3-2-4-8-15)20-21-18(22)24-13-14-6-5-9-16(19)12-14/h2-9,12H,10-11,13H2,1H3