3-(2-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-bromophenyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H13BrN4O2S MolecularWeight: 405.26902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Br

InChI

InChI=1S/C16H13BrN4O2S/c1-20-15(13-4-2-3-5-14(13)17)18-19-16(20)24-10-11-6-8-12(9-7-11)21(22)23/h2-9H,10H2,1H3