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

Systemtic Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10H2,1-2H3