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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-isobutyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-isobutyl-5-phenyl-1,2,4-triazole Formula: C19H20BrN3S MolecularWeight: 402.3512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H20BrN3S/c1-14(2)12-23-18(16-6-4-3-5-7-16)21-22-19(23)24-13-15-8-10-17(20)11-9-15/h3-11,14H,12-13H2,1-2H3