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

Systemtic Name: 3-(2,4-dichlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2,4-dichlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2,4-dichlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2,4-dichlorophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2,4-dichlorophenyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N4O2S/c1-21-15(13-7-4-11(17)8-14(13)18)19-20-16(21)25-9-10-2-5-12(6-3-10)22(23)24/h2-8H,9H2,1H3