4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-methyl-3-nitrophenyl)methylthio]-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-methyl-3-nitro-benzyl)thio]-5-(o-tolyl)-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3C

InChI

InChI=1S/C19H20N4O2S/c1-4-22-18(16-10-6-5-8-13(16)2)20-21-19(22)26-12-15-9-7-11-17(14(15)3)23(24)25/h5-11H,4,12H2,1-3H3